N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide

C16H21N3O3 — CID 113115459

IUPACN-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)C2CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)17-13-3-5-14(6-4-13)18-16(22)9-10-19(12(2)21)15-7-8-15/h3-6,15H,7-10H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyZALNWRDFJXRDLJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.98
Rot. Bonds6

About N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide

N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide (PubChem CID 113115459) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
PubChem CID113115459
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)C2CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)17-13-3-5-14(6-4-13)18-16(22)9-10-19(12(2)21)15-7-8-15/h3-6,15H,7-10H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyZALNWRDFJXRDLJ-UHFFFAOYSA-N
XLogP1.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113115435
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
CID 113116695
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
ethyl 4-[acetyl-[3-(4-ethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122175
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 113121684
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide (CID 113115459) is N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide is CC(=O)Nc1ccc(NC(=O)CCN(C(C)=O)C2CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide?
The InChIKey is ZALNWRDFJXRDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)17-13-3-5-14(6-4-13)18-16(22)9-10-19(12(2)21)15-7-8-15/h3-6,15H,7-10H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide?
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide has a molecular weight of 303.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide is sourced from PubChem (CID 113115459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).