(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate

C17H18N2O3 — CID 171824814

IUPAC(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
SMILESCc1ccc(COC(=O)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-2-4-14(5-3-12)11-22-17(21)19-15-8-6-13(7-9-15)10-16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMZOQIXJCFQOPAW-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.77
Rot. Bonds5

About (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate

(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate (PubChem CID 171824814) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
PubChem CID171824814
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
SMILESCc1ccc(COC(=O)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-2-4-14(5-3-12)11-22-17(21)19-15-8-6-13(7-9-15)10-16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMZOQIXJCFQOPAW-UHFFFAOYSA-N
XLogP2.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
ethane;(4-methylphenyl)methyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 171823999
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469
(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate
CID 171824401
tert-butyl N-methyl-N-[1-[4-[(4-methylphenyl)methoxycarbonylamino]phenyl]ethyl]carbamate
CID 171824486
benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
CID 67901820
2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
CID 100967758
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate?
The IUPAC name of (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate (CID 171824814) is (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate?
The canonical SMILES for (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate is Cc1ccc(COC(=O)Nc2ccc(CC(N)=O)cc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate?
The InChIKey is MZOQIXJCFQOPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-2-4-14(5-3-12)11-22-17(21)19-15-8-6-13(7-9-15)10-16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate?
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate is sourced from PubChem (CID 171824814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).