N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid

C52H94N4O14 — CID 158505735

IUPACN-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid
SMILESC.C.C=C(C)COOCC(C)(COC)COC.CC(=O)NCCCCCCNC(C)=O.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.COCC(C)(COC)C(=O)O.COCC(C)OC
InChIInChI=1S/C17H18N2O2.C11H22O4.C10H20N2O2.C7H14O4.C5H12O2.2CH4/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-10(2)6-14-15-9-11(3,7-12-4)8-13-5;1-9(13)11-7-5-3-4-6-8-12-10(2)14;1-7(4-10-2,5-11-3)6(8)9;1-5(7-3)4-6-2;;/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);1,6-9H2,2-5H3;3-8H2,1-2H3,(H,11,13)(H,12,14);4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3;2*1H4
InChIKeyHKLDBWURUMTINN-UHFFFAOYSA-N
MW999.34 g/mol
LogP8.13
Rot. Bonds28

About N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid

N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid (PubChem CID 158505735) has the molecular formula C52H94N4O14 and a molecular weight of 999.34 g/mol. Its IUPAC name is N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid.

Molecular Properties

Compound NameN-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid
PubChem CID158505735
Molecular FormulaC52H94N4O14
Molecular Weight999.34 g/mol
Exact Mass998.68
IUPAC NameN-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid
SMILESC.C.C=C(C)COOCC(C)(COC)COC.CC(=O)NCCCCCCNC(C)=O.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.COCC(C)(COC)C(=O)O.COCC(C)OC
InChIInChI=1S/C17H18N2O2.C11H22O4.C10H20N2O2.C7H14O4.C5H12O2.2CH4/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-10(2)6-14-15-9-11(3,7-12-4)8-13-5;1-9(13)11-7-5-3-4-6-8-12-10(2)14;1-7(4-10-2,5-11-3)6(8)9;1-5(7-3)4-6-2;;/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);1,6-9H2,2-5H3;3-8H2,1-2H3,(H,11,13)(H,12,14);4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3;2*1H4
InChIKeyHKLDBWURUMTINN-UHFFFAOYSA-N
XLogP8.13
TPSA227.54 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.34
LogP ≤ 58.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane
CID 158233860
bis(N-(6-acetamidohexyl)acetamide);N-(5-acetamidonaphthalen-1-yl)acetamide;bis(N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide);2,6-bis(methoxymethyl)pyridine;1,2-dimethoxypropane;4-methoxy-1-[6-(4-methoxybutanoyl)-2-pyridinyl]butan-1-one;1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propane
CID 157180397
2-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxymethyl]-3-methoxy-2-methylpropanoic acid;1,3-dioxo-2-benzofuran-5-carboxylic acid;[1-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxymethyl]-3-methoxy-2-methylpropanoate;1-methoxypropan-2-yl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 158583848
(2S)-6-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoylamino]-2-aminohexanoic acid
CID 90733818
7-[4-[(4-acetamidophenyl)methyl]phenyl]heptanoic acid
CID 15667466
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
3-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxy]propyl 3-methoxypropyl carbonate
CID 176863887
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-[[3-(acetamidomethyl)phenyl]methyl]acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;tris(1,2-dimethoxyhexane);N-methylpentan-2-amine;N-(2,2,4-trimethyl-8-oxononyl)acetamide
CID 162018721
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid?
The IUPAC name of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid (CID 158505735) is N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid.
What is the SMILES notation for N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid?
The canonical SMILES for N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid is C.C.C=C(C)COOCC(C)(COC)COC.CC(=O)NCCCCCCNC(C)=O.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.COCC(C)(COC)C(=O)O.COCC(C)OC.
What is the InChIKey of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid?
The InChIKey is HKLDBWURUMTINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.C11H22O4.C10H20N2O2.C7H14O4.C5H12O2.2CH4/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-10(2)6-14-15-9-11(3,7-12-4)8-13-5;1-9(13)11-7-5-3-4-6-8-12-10(2)14;1-7(4-10-2,5-11-3)6(8)9;1-5(7-3)4-6-2;;/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);1,6-9H2,2-5H3;3-8H2,1-2H3,(H,11,13)(H,12,14);4-5H2,1-3H3,(H,8,9);5H,4H2,1-3H3;2*1H4.
What are the key properties of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid?
N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid has a molecular weight of 999.34 g/mol, XLogP of 8.13, 28 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,2-dimethoxypropane;methane;1-methoxy-2-(methoxymethyl)-2-methyl-3-(2-methylprop-2-enylperoxy)propane;3-methoxy-2-(methoxymethyl)-2-methylpropanoic acid is sourced from PubChem (CID 158505735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).