N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide

C24H27N3O — CID 25158263

IUPACN-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
SMILESCC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H27N3O/c1-17(2)15-26-16-18-8-10-20(11-9-18)24(28)27-23-14-21(12-13-22(23)25)19-6-4-3-5-7-19/h3-14,17,26H,15-16,25H2,1-2H3,(H,27,28)
InChIKeyLPGCYTKMQKYVFP-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.93
Rot. Bonds7

About N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide (PubChem CID 25158263) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
PubChem CID25158263
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
SMILESCC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H27N3O/c1-17(2)15-26-16-18-8-10-20(11-9-18)24(28)27-23-14-21(12-13-22(23)25)19-6-4-3-5-7-19/h3-14,17,26H,15-16,25H2,1-2H3,(H,27,28)
InChIKeyLPGCYTKMQKYVFP-UHFFFAOYSA-N
XLogP4.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.93
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

N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
[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
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(2-methoxypropylamino)methyl]benzamide
CID 68727277

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide (CID 25158263) is N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide is CC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
The InChIKey is LPGCYTKMQKYVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17(2)15-26-16-18-8-10-20(11-9-18)24(28)27-23-14-21(12-13-22(23)25)19-6-4-3-5-7-19/h3-14,17,26H,15-16,25H2,1-2H3,(H,27,28).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide is sourced from PubChem (CID 25158263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).