N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane

C41H62N4O8 — CID 158233860

IUPACN-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane
SMILESCC(=O)NCCCCCCNC(C)=O.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.COCCOC.COCc1cccc(COC)c1
InChIInChI=1S/C17H18N2O2.C10H20N2O2.C10H14O2.C4H10O2/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-9(13)11-7-5-3-4-6-8-12-10(2)14;1-11-7-9-4-3-5-10(6-9)8-12-2;1-5-3-4-6-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);3-8H2,1-2H3,(H,11,13)(H,12,14);3-6H,7-8H2,1-2H3;3-4H2,1-2H3
InChIKeyGESGSBBOUYMPOZ-UHFFFAOYSA-N
MW738.97 g/mol
LogP6.27
Rot. Bonds18

About N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane

N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane (PubChem CID 158233860) has the molecular formula C41H62N4O8 and a molecular weight of 738.97 g/mol. Its IUPAC name is N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane.

Molecular Properties

Compound NameN-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane
PubChem CID158233860
Molecular FormulaC41H62N4O8
Molecular Weight738.97 g/mol
Exact Mass738.46
IUPAC NameN-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane
SMILESCC(=O)NCCCCCCNC(C)=O.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.COCCOC.COCc1cccc(COC)c1
InChIInChI=1S/C17H18N2O2.C10H20N2O2.C10H14O2.C4H10O2/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-9(13)11-7-5-3-4-6-8-12-10(2)14;1-11-7-9-4-3-5-10(6-9)8-12-2;1-5-3-4-6-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);3-8H2,1-2H3,(H,11,13)(H,12,14);3-6H,7-8H2,1-2H3;3-4H2,1-2H3
InChIKeyGESGSBBOUYMPOZ-UHFFFAOYSA-N
XLogP6.27
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 56.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxy]propyl 3-methoxypropyl carbonate
CID 176863887
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
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
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615
2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
CID 108792623
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 22947057

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane?
The IUPAC name of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane (CID 158233860) is N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane.
What is the SMILES notation for N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane?
The canonical SMILES for N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane is CC(=O)NCCCCCCNC(C)=O.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.COCCOC.COCc1cccc(COC)c1.
What is the InChIKey of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane?
The InChIKey is GESGSBBOUYMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.C10H20N2O2.C10H14O2.C4H10O2/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-9(13)11-7-5-3-4-6-8-12-10(2)14;1-11-7-9-4-3-5-10(6-9)8-12-2;1-5-3-4-6-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);3-8H2,1-2H3,(H,11,13)(H,12,14);3-6H,7-8H2,1-2H3;3-4H2,1-2H3.
What are the key properties of N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane?
N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane has a molecular weight of 738.97 g/mol, XLogP of 6.27, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane is sourced from PubChem (CID 158233860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).