N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide

C19H23N3O2 — CID 54795540

IUPACN-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H23N3O2/c1-2-6-18(23)21-15-8-5-9-16(13-15)22-19(24)12-11-14-7-3-4-10-17(14)20/h3-5,7-10,13H,2,6,11-12,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQRKWCQQDKPSJK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.58
Rot. Bonds7

About N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide

N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide (PubChem CID 54795540) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
PubChem CID54795540
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H23N3O2/c1-2-6-18(23)21-15-8-5-9-16(13-15)22-19(24)12-11-14-7-3-4-10-17(14)20/h3-5,7-10,13H,2,6,11-12,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyJQRKWCQQDKPSJK-UHFFFAOYSA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.58
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

2-ethylaniline;N-phenylbutanamide
CID 68720946
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 54795481
3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
CID 54795478
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride
CID 120609902
3-(2-aminophenyl)-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide;hydrochloride
CID 120610897
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
CID 120613542

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide?
The IUPAC name of N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide (CID 54795540) is N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide.
What is the SMILES notation for N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide?
The canonical SMILES for N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide?
The InChIKey is JQRKWCQQDKPSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-6-18(23)21-15-8-5-9-16(13-15)22-19(24)12-11-14-7-3-4-10-17(14)20/h3-5,7-10,13H,2,6,11-12,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide?
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide is sourced from PubChem (CID 54795540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).