N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide

C18H27NO2 — CID 110297393

IUPACN-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C18H27NO2/c1-4-5-12-19(2)18(20)13-17(14-6-7-14)15-8-10-16(21-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3
InChIKeyYBDCBAJPCVMWCN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds8

About N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide

N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 110297393) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID110297393
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C18H27NO2/c1-4-5-12-19(2)18(20)13-17(14-6-7-14)15-8-10-16(21-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3
InChIKeyYBDCBAJPCVMWCN-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 5124030
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110297407
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 110618626
3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110302123
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
CID 169443554
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide
CID 113119927
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide (CID 110297393) is N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide is CCCCN(C)C(=O)CC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is YBDCBAJPCVMWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-5-12-19(2)18(20)13-17(14-6-7-14)15-8-10-16(21-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3.
What are the key properties of N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide?
N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 110297393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).