1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide

C19H27NO3 — CID 110438036

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCCCC3C)CC2)cc1OC
InChIInChI=1S/C19H27NO3/c1-13-6-4-5-7-15(13)20-18(21)19(10-11-19)14-8-9-16(22-2)17(12-14)23-3/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyNZDPCMYDNXWDCY-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.43
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide (PubChem CID 110438036) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
PubChem CID110438036
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCCCC3C)CC2)cc1OC
InChIInChI=1S/C19H27NO3/c1-13-6-4-5-7-15(13)20-18(21)19(10-11-19)14-8-9-16(22-2)17(12-14)23-3/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyNZDPCMYDNXWDCY-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
CID 91791815
1-(3,4-dimethoxyphenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 138999843
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95334427
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 6981079
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1S,2R)-2-methylcyclohexyl]oxamide
CID 40720382
1-hydroxy-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 71970125
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766228
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8625077
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide (CID 110438036) is 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NC3CCCCC3C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide?
The InChIKey is NZDPCMYDNXWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13-6-4-5-7-15(13)20-18(21)19(10-11-19)14-8-9-16(22-2)17(12-14)23-3/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).