N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide

C19H23N3O2 — CID 120608696

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H23N3O2/c1-13(16-7-5-8-17(12-16)22-14(2)23)21-19(24)11-10-15-6-3-4-9-18(15)20/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJJHQJWDCCXKMDK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide

N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide (PubChem CID 120608696) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
PubChem CID120608696
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C19H23N3O2/c1-13(16-7-5-8-17(12-16)22-14(2)23)21-19(24)11-10-15-6-3-4-9-18(15)20/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJJHQJWDCCXKMDK-UHFFFAOYSA-N
XLogP3.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.04
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-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
3-(2-aminophenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 120608273
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
CID 120609962
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 54795481
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 120609013

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide (CID 120608696) is N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide is CC(=O)Nc1cccc(C(C)NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide?
The InChIKey is JJHQJWDCCXKMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(16-7-5-8-17(12-16)22-14(2)23)21-19(24)11-10-15-6-3-4-9-18(15)20/h3-9,12-13H,10-11,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide?
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide is sourced from PubChem (CID 120608696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).