[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid

C22H21N3O3 — CID 68778186

IUPAC[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1)C(=O)O
InChIInChI=1S/C22H21N3O3/c1-25(22(27)28)14-15-7-9-17(10-8-15)21(26)24-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,26)(H,27,28)
InChIKeyNRTFGYTWWUEPLO-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.30
Rot. Bonds5

About [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid

[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid (PubChem CID 68778186) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
PubChem CID68778186
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1)C(=O)O
InChIInChI=1S/C22H21N3O3/c1-25(22(27)28)14-15-7-9-17(10-8-15)21(26)24-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,26)(H,27,28)
InChIKeyNRTFGYTWWUEPLO-UHFFFAOYSA-N
XLogP4.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-[[2-dimethylphosphanylethyl(propanoyl)amino]methyl]benzamide
CID 143614079
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide
CID 126722801
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid?
The IUPAC name of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid (CID 68778186) is [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid.
What is the SMILES notation for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid?
The canonical SMILES for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid is CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1)C(=O)O.
What is the InChIKey of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid?
The InChIKey is NRTFGYTWWUEPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25(22(27)28)14-15-7-9-17(10-8-15)21(26)24-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,26)(H,27,28).
What are the key properties of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid?
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid has a molecular weight of 375.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid is sourced from PubChem (CID 68778186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).