1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide

C15H21NO2 — CID 117059920

IUPAC1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(C)CC2)cc1C
InChIInChI=1S/C15H21NO2/c1-4-9-18-13-6-5-12(10-11(13)2)16-14(17)15(3)7-8-15/h5-6,10H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyZRPPMHYXDNMOIS-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.52
Rot. Bonds5

About 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide

1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 117059920) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
PubChem CID117059920
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(C)CC2)cc1C
InChIInChI=1S/C15H21NO2/c1-4-9-18-13-6-5-12(10-11(13)2)16-14(17)15(3)7-8-15/h5-6,10H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyZRPPMHYXDNMOIS-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
1-methyl-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100773790
N-(3-methyl-4-propoxyphenyl)-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100680217
methyl 2-butoxy-5-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 100751768
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064
N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
CID 100751895

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide (CID 117059920) is 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide is CCCOc1ccc(NC(=O)C2(C)CC2)cc1C.
What is the InChIKey of 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is ZRPPMHYXDNMOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-9-18-13-6-5-12(10-11(13)2)16-14(17)15(3)7-8-15/h5-6,10H,4,7-9H2,1-3H3,(H,16,17).
What are the key properties of 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide?
1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 117059920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).