N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide

C18H21N3O2 — CID 54794998

IUPACN-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(22)21(2)17-10-8-16(9-11-17)20-18(23)12-5-14-3-6-15(19)7-4-14/h3-4,6-11H,5,12,19H2,1-2H3,(H,20,23)
InChIKeyDAIIOAVSYCABRH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.82
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide

N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide (PubChem CID 54794998) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
PubChem CID54794998
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(22)21(2)17-10-8-16(9-11-17)20-18(23)12-5-14-3-6-15(19)7-4-14/h3-4,6-11H,5,12,19H2,1-2H3,(H,20,23)
InChIKeyDAIIOAVSYCABRH-UHFFFAOYSA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 54795361
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-N-hydroxybenzamide
CID 142672672
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide (CID 54794998) is N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide is CC(=O)N(C)c1ccc(NC(=O)CCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide?
The InChIKey is DAIIOAVSYCABRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(22)21(2)17-10-8-16(9-11-17)20-18(23)12-5-14-3-6-15(19)7-4-14/h3-4,6-11H,5,12,19H2,1-2H3,(H,20,23).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide?
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide is sourced from PubChem (CID 54794998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).