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

C73H130N6O12 — CID 162018721

IUPACN-[[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
SMILESCC(=O)CCCC(C)CC(C)(C)CNC(C)=O.CC(=O)NCc1cccc(CNC(C)=O)c1.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.CCCC(C)NC.CCCCC(COC)OC.CCCCC(COC)OC.CCCCC(COC)OC
InChIInChI=1S/C17H18N2O2.C14H27NO2.C12H16N2O2.3C8H18O2.C6H15N/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-11(7-6-8-12(2)16)9-14(4,5)10-15-13(3)17;1-9(15)13-7-11-4-3-5-12(6-11)8-14-10(2)16;3*1-4-5-6-8(10-3)7-9-2;1-4-5-6(2)7-3/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);11H,6-10H2,1-5H3,(H,15,17);3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16);3*8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyYULTUWZUWSJYGM-UHFFFAOYSA-N
MW1283.87 g/mol
LogP14.00
Rot. Bonds37

About 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

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 (PubChem CID 162018721) has the molecular formula C73H130N6O12 and a molecular weight of 1283.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID162018721
Molecular FormulaC73H130N6O12
Molecular Weight1283.87 g/mol
Exact Mass1282.97
IUPAC NameN-[[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
SMILESCC(=O)CCCC(C)CC(C)(C)CNC(C)=O.CC(=O)NCc1cccc(CNC(C)=O)c1.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.CCCC(C)NC.CCCCC(COC)OC.CCCCC(COC)OC.CCCCC(COC)OC
InChIInChI=1S/C17H18N2O2.C14H27NO2.C12H16N2O2.3C8H18O2.C6H15N/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-11(7-6-8-12(2)16)9-14(4,5)10-15-13(3)17;1-9(15)13-7-11-4-3-5-12(6-11)8-14-10(2)16;3*1-4-5-6-8(10-3)7-9-2;1-4-5-6(2)7-3/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);11H,6-10H2,1-5H3,(H,15,17);3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16);3*8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyYULTUWZUWSJYGM-UHFFFAOYSA-N
XLogP14.00
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds37
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001283.87
LogP ≤ 514.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

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Related Compounds

N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane
CID 158233860
N-[3-[[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]methyl]phenyl]acetamide
CID 111212921
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
CID 39588594
5,6-dimethoxyhexan-2-one
CID 89027763
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate
CID 70380566
1-[4-[[3-(hydroxymethyl)phenyl]methyl]phenyl]-3-[[17-[[[4-[[3-(hydroxymethyl)phenyl]methyl]phenyl]carbamoylamino]methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]urea
CID 101481642
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
3-[(1-methoxyhexan-2-ylamino)methyl]benzoic acid
CID 122031553
N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490731

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCCC(C)CC(C)(C)CNC(C)=O.CC(=O)NCc1cccc(CNC(C)=O)c1.CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1.CCCC(C)NC.CCCCC(COC)OC.CCCCC(COC)OC.CCCCC(COC)OC.
What is the InChIKey of 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?
The InChIKey is YULTUWZUWSJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.C14H27NO2.C12H16N2O2.3C8H18O2.C6H15N/c1-12(20)18-16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)19-13(2)21;1-11(7-6-8-12(2)16)9-14(4,5)10-15-13(3)17;1-9(15)13-7-11-4-3-5-12(6-11)8-14-10(2)16;3*1-4-5-6-8(10-3)7-9-2;1-4-5-6(2)7-3/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21);11H,6-10H2,1-5H3,(H,15,17);3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16);3*8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1283.87 g/mol, XLogP of 14.00, 37 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162018721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).