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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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).