benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid

C22H21N3O3 — CID 57371754

IUPACbenzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid
SMILESO=C(NNc1ccccc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C22H21N3O3/c26-21(24-23-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)25(22(27)28)16-17-10-4-1-5-11-17/h1-15,20,23H,16H2,(H,24,26)(H,27,28)
InChIKeyAJFXNEZEBPADPW-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.05
Rot. Bonds7

About benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid

benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid (PubChem CID 57371754) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid
PubChem CID57371754
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namebenzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid
SMILESO=C(NNc1ccccc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C22H21N3O3/c26-21(24-23-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)25(22(27)28)16-17-10-4-1-5-11-17/h1-15,20,23H,16H2,(H,24,26)(H,27,28)
InChIKeyAJFXNEZEBPADPW-UHFFFAOYSA-N
XLogP4.05
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide
CID 41190592
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237103
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methyl-2-phenylacetamide
CID 133237735
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide
CID 102485048
N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236940
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133214951
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid?
The IUPAC name of benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid (CID 57371754) is benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid.
What is the SMILES notation for benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid?
The canonical SMILES for benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid is O=C(NNc1ccccc1)C(c1ccccc1)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid?
The InChIKey is AJFXNEZEBPADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(24-23-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)25(22(27)28)16-17-10-4-1-5-11-17/h1-15,20,23H,16H2,(H,24,26)(H,27,28).
What are the key properties of benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid?
benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid has a molecular weight of 375.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid is sourced from PubChem (CID 57371754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).