N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

C18H26ClNO3 — CID 133246423

IUPACN-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCC(C)C1
InChIInChI=1S/C18H26ClNO3/c1-4-10-23-18(9-5-6-13(2)12-18)17(21)20-14-7-8-16(22-3)15(19)11-14/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,20,21)
InChIKeyFMSKDEUXLSLECN-UHFFFAOYSA-N
MW339.86 g/mol
LogP4.66
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 133246423) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID133246423
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCC(C)C1
InChIInChI=1S/C18H26ClNO3/c1-4-10-23-18(9-5-6-13(2)12-18)17(21)20-14-7-8-16(22-3)15(19)11-14/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,20,21)
InChIKeyFMSKDEUXLSLECN-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3R)-N-(3-chloro-4-ethoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716342
trans-(1S,3R)-N-(3-chloro-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707553
trans-(1R,3S)-N-(3-chloro-4-ethoxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733931
cis-(1R,3R)-N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733808
trans-(1R,3S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 125061366
trans-(1R,3S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707699
trans-(1S,3R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733839
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
ethyl 5-[[(1S,3S)-3-methyl-1-propoxycyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100767818
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883
methyl 5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100762284
ethyl 5-[[(1R,3S)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100762385

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 133246423) is N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCC(C)C1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is FMSKDEUXLSLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-4-10-23-18(9-5-6-13(2)12-18)17(21)20-14-7-8-16(22-3)15(19)11-14/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 339.86 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 133246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).