N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide

C20H25N3O2 — CID 54795255

IUPACN-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCc2cccc(N)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)12-20(25)23-18-9-7-17(8-10-18)22-19(24)11-6-15-4-3-5-16(21)13-15/h3-5,7-10,13-14H,6,11-12,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAHRNJYVHSBZGIH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.82
Rot. Bonds7

About N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide

N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide (PubChem CID 54795255) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
PubChem CID54795255
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCc2cccc(N)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)12-20(25)23-18-9-7-17(8-10-18)22-19(24)11-6-15-4-3-5-16(21)13-15/h3-5,7-10,13-14H,6,11-12,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAHRNJYVHSBZGIH-UHFFFAOYSA-N
XLogP3.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.82
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-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33036873
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 54795591
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
CID 54795617
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide (CID 54795255) is N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CCc2cccc(N)c2)cc1.
What is the InChIKey of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide?
The InChIKey is AHRNJYVHSBZGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)12-20(25)23-18-9-7-17(8-10-18)22-19(24)11-6-15-4-3-5-16(21)13-15/h3-5,7-10,13-14H,6,11-12,21H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide?
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide has a molecular weight of 339.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 54795255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).