1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide

C22H27NO3 — CID 100707919

IUPAC1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC(C)CC1
InChIInChI=1S/C22H27NO3/c1-17-12-14-22(25-2,15-13-17)21(24)23-19-8-10-20(11-9-19)26-16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,23,24)
InChIKeyCEWVALQIURDBIV-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.80
Rot. Bonds6

About 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide

1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 100707919) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID100707919
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC(C)CC1
InChIInChI=1S/C22H27NO3/c1-17-12-14-22(25-2,15-13-17)21(24)23-19-8-10-20(11-9-19)26-16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,23,24)
InChIKeyCEWVALQIURDBIV-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-bromoethoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707995
trans-(1R,3S)-3-methyl-N-(4-phenylmethoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100714548
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707870
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545
trans-(1S,3R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707497
1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100705123
cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
CID 100706928
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide (CID 100707919) is 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide is COC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC(C)CC1.
What is the InChIKey of 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is CEWVALQIURDBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17-12-14-22(25-2,15-13-17)21(24)23-19-8-10-20(11-9-19)26-16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,23,24).
What are the key properties of 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide?
1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100707919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).