benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate

C17H18N2O3 — CID 1480002

IUPACbenzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
SMILESCNC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-18-16(20)15-9-7-13(8-10-15)11-19-17(21)22-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyAZSFFKOKKTYREK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.47
Rot. Bonds5

About benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate

benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate (PubChem CID 1480002) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
PubChem CID1480002
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
SMILESCNC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-18-16(20)15-9-7-13(8-10-15)11-19-17(21)22-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyAZSFFKOKKTYREK-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
benzyl N-[3,4-dihydroxy-4-[4-(methylcarbamoyl)phenyl]butyl]carbamate
CID 171888918
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-methyl-4-phenylmethoxybenzamide
CID 2996745
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate (CID 1480002) is benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate is CNC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
The InChIKey is AZSFFKOKKTYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-16(20)15-9-7-13(8-10-15)11-19-17(21)22-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate?
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 1480002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).