benzyl N-[(2,2-diphenylacetyl)amino]carbamate

C22H20N2O3 — CID 4935805

IUPACbenzyl N-[(2,2-diphenylacetyl)amino]carbamate
SMILESO=C(NNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-21(23-24-22(26)27-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,25)(H,24,26)
InChIKeyCYEQMIFBUIEESG-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.78
Rot. Bonds5

About benzyl N-[(2,2-diphenylacetyl)amino]carbamate

benzyl N-[(2,2-diphenylacetyl)amino]carbamate (PubChem CID 4935805) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is benzyl N-[(2,2-diphenylacetyl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2,2-diphenylacetyl)amino]carbamate
PubChem CID4935805
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Namebenzyl N-[(2,2-diphenylacetyl)amino]carbamate
SMILESO=C(NNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-21(23-24-22(26)27-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,25)(H,24,26)
InChIKeyCYEQMIFBUIEESG-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.78
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-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-benzamidocarbamate
CID 4935848
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
N'-(2,2-diphenylacetyl)-4-phenylmethoxybenzohydrazide
CID 4933138
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
[(2,2-diphenylacetyl)amino]thiourea
CID 12636581

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2,2-diphenylacetyl)amino]carbamate?
The IUPAC name of benzyl N-[(2,2-diphenylacetyl)amino]carbamate (CID 4935805) is benzyl N-[(2,2-diphenylacetyl)amino]carbamate.
What is the SMILES notation for benzyl N-[(2,2-diphenylacetyl)amino]carbamate?
The canonical SMILES for benzyl N-[(2,2-diphenylacetyl)amino]carbamate is O=C(NNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2,2-diphenylacetyl)amino]carbamate?
The InChIKey is CYEQMIFBUIEESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(23-24-22(26)27-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,25)(H,24,26).
What are the key properties of benzyl N-[(2,2-diphenylacetyl)amino]carbamate?
benzyl N-[(2,2-diphenylacetyl)amino]carbamate has a molecular weight of 360.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2,2-diphenylacetyl)amino]carbamate is sourced from PubChem (CID 4935805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).