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

C24H25N3O2 — CID 25156529

IUPACN-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
SMILESCC(C)C(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)23(28)26-15-17-8-10-19(11-9-17)24(29)27-22-14-20(12-13-21(22)25)18-6-4-3-5-7-18/h3-14,16H,15,25H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXZXAKFKDVJGQRQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.46
Rot. Bonds6

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

N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide (PubChem CID 25156529) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
PubChem CID25156529
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
SMILESCC(C)C(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)23(28)26-15-17-8-10-19(11-9-17)24(29)27-22-14-20(12-13-21(22)25)18-6-4-3-5-7-18/h3-14,16H,15,25H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXZXAKFKDVJGQRQ-UHFFFAOYSA-N
XLogP4.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.46
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
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
[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
2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]-N,N'-dibenzylpropanediamide
CID 67279472
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide (CID 25156529) is N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide is CC(C)C(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide?
The InChIKey is XZXAKFKDVJGQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(2)23(28)26-15-17-8-10-19(11-9-17)24(29)27-22-14-20(12-13-21(22)25)18-6-4-3-5-7-18/h3-14,16H,15,25H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.46, 6 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-methylpropanoylamino)methyl]benzamide is sourced from PubChem (CID 25156529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).