benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate

C23H21N3O4 — CID 127044679

IUPACbenzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESNC(=O)c1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c24-21(27)19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23(29)30-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H2,24,27)(H,25,29)(H,26,28)
InChIKeyGIKXERPPOWYLGI-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.46
Rot. Bonds7

About benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate

benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 127044679) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID127044679
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Namebenzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESNC(=O)c1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c24-21(27)19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23(29)30-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H2,24,27)(H,25,29)(H,26,28)
InChIKeyGIKXERPPOWYLGI-UHFFFAOYSA-N
XLogP3.46
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Methyl 2-benzamidobenzoate
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2-(4-Tert-butylphenyl)ethyl 2-formamidobenzoate
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Methyl 2-{[(1-cyclohexyl-5-oxo-3-pyrrolidinyl)carbonyl]amino}benzoate
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Benzyl N-{[4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl]methyl}carbamate
CID 135566971
[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
Phenylmethyl N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate
CID 5044
Methyl 2-{[3-(isobutyrylamino)benzoyl]amino}benzoate
CID 890938
2-[(2-Benzamidobenzoyl)amino]benzoic acid
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CID 1562681

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate (CID 127044679) is benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate is NC(=O)c1ccccc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is GIKXERPPOWYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c24-21(27)19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23(29)30-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H2,24,27)(H,25,29)(H,26,28).
What are the key properties of benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate?
benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 403.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 127044679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).