N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide

C17H24N2O2 — CID 113095067

IUPACN-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(c1ccc(NC(C)=O)cc1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-4-13(5-2)17(21)19(16-10-11-16)15-8-6-14(7-9-15)18-12(3)20/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyZHDRIZLJLDTLSZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.58
Rot. Bonds6

About N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide

N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide (PubChem CID 113095067) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide
PubChem CID113095067
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(c1ccc(NC(C)=O)cc1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-4-13(5-2)17(21)19(16-10-11-16)15-8-6-14(7-9-15)18-12(3)20/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyZHDRIZLJLDTLSZ-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
CID 113095079
N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
CID 113095099
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-(4-acetamidophenyl)-N-cyclopropyloxolane-2-carboxamide
CID 113095065
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)-N-cyclopropylacetamide
CID 113095100
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
CID 113095104
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide?
The IUPAC name of N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide (CID 113095067) is N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide is CCC(CC)C(=O)N(c1ccc(NC(C)=O)cc1)C1CC1.
What is the InChIKey of N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide?
The InChIKey is ZHDRIZLJLDTLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-13(5-2)17(21)19(16-10-11-16)15-8-6-14(7-9-15)18-12(3)20/h6-9,13,16H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide?
N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide is sourced from PubChem (CID 113095067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).