(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate

C17H18N2O3 — CID 5141058

IUPAC(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate
SMILESCc1ccccc1COC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)12-22-17(21)19-18-16(20)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyNCLNMGHYJXVGFM-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.50
Rot. Bonds4

About (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate

(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate (PubChem CID 5141058) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate.

Molecular Properties

Compound Name(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate
PubChem CID5141058
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate
SMILESCc1ccccc1COC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)12-22-17(21)19-18-16(20)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyNCLNMGHYJXVGFM-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
2-(2-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
ethane;(2-methylphenyl)methyl acetate
CID 143177732
3-(2-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309216
benzyl N-(carbamoylamino)carbamate
CID 141421180
bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
(2S)-2-amino-6-[(2-methylphenyl)methoxycarbonylamino]hexanoic acid
CID 122607486
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
(2-methylphenyl)methyl prop-2-ynoate
CID 175312012
(2-methylphenyl)methyl 2,2,2-trifluoroacetate
CID 2753147

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate?
The IUPAC name of (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate (CID 5141058) is (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate.
What is the SMILES notation for (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate?
The canonical SMILES for (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate is Cc1ccccc1COC(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate?
The InChIKey is NCLNMGHYJXVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)12-22-17(21)19-18-16(20)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate?
(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate is sourced from PubChem (CID 5141058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).