(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate

C14H20N2O3 — CID 167648938

IUPAC(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
SMILESCC(=O)NCCN(C)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-11-4-6-13(7-5-11)10-19-14(18)16(3)9-8-15-12(2)17/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyWXAJWXSWNMKOPJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.70
Rot. Bonds5

About (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate

(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate (PubChem CID 167648938) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
PubChem CID167648938
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
SMILESCC(=O)NCCN(C)C(=O)OCc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-11-4-6-13(7-5-11)10-19-14(18)16(3)9-8-15-12(2)17/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyWXAJWXSWNMKOPJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 178047000
(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate
CID 178047297
carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)
CID 178047272
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
[4-[2-(2-hydroxyethoxy)ethyl-[2-[methyl-[[4-(methylamino)phenyl]methoxycarbonyl]amino]ethyl]carbamoyl]oxyphenyl]methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 134433205
[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
CID 171843698
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate
CID 178047319
iodo N-[2-[[4-(iodoamino)phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 171843588
methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
CID 171843577
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
iodo (4-methylphenyl)methyl carbonate
CID 170151158

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate?
The IUPAC name of (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate (CID 167648938) is (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate?
The canonical SMILES for (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate is CC(=O)NCCN(C)C(=O)OCc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate?
The InChIKey is WXAJWXSWNMKOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-4-6-13(7-5-11)10-19-14(18)16(3)9-8-15-12(2)17/h4-7H,8-10H2,1-3H3,(H,15,17).
What are the key properties of (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate?
(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate is sourced from PubChem (CID 167648938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).