benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate

C30H28N2O3 — CID 21035397

IUPACbenzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C30H28N2O3/c33-29(28(26-12-6-2-7-13-26)27-14-8-3-9-15-27)31-20-23-16-18-24(19-17-23)21-32-30(34)35-22-25-10-4-1-5-11-25/h1-19,28H,20-22H2,(H,31,33)(H,32,34)
InChIKeyXCQAJXKGXJOIDH-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.56
Rot. Bonds9

About benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate

benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 21035397) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
PubChem CID21035397
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Namebenzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C30H28N2O3/c33-29(28(26-12-6-2-7-13-26)27-14-8-3-9-15-27)31-20-23-16-18-24(19-17-23)21-32-30(34)35-22-25-10-4-1-5-11-25/h1-19,28H,20-22H2,(H,31,33)(H,32,34)
InChIKeyXCQAJXKGXJOIDH-UHFFFAOYSA-N
XLogP5.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2,2-diphenylacetyl)amino]carbamate
CID 4935805
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
benzyl N-[4-[(2,2-diphenylacetyl)amino]-5-[(4-methoxyphenyl)methylamino]-5-oxopentyl]carbamate
CID 70278550
1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate
CID 123300594
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 24854322
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate (CID 21035397) is benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate is O=C(NCc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate?
The InChIKey is XCQAJXKGXJOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c33-29(28(26-12-6-2-7-13-26)27-14-8-3-9-15-27)31-20-23-16-18-24(19-17-23)21-32-30(34)35-22-25-10-4-1-5-11-25/h1-19,28H,20-22H2,(H,31,33)(H,32,34).
What are the key properties of benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate?
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 464.57 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 21035397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).