cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide

C20H29NO3 — CID 100705713

IUPACcis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1
InChIInChI=1S/C20H29NO3/c1-15-6-5-13-20(14-15,23-2)19(22)21-16-9-11-18(12-10-16)24-17-7-3-4-8-17/h9-12,15,17H,3-8,13-14H2,1-2H3,(H,21,22)/t15-,20-/m1/s1
InChIKeyYWWRJSWPNZDUTN-FOIQADDNSA-N
MW331.46 g/mol
LogP4.54
Rot. Bonds5

About cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide

cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 100705713) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
PubChem CID100705713
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Namecis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1
InChIInChI=1S/C20H29NO3/c1-15-6-5-13-20(14-15,23-2)19(22)21-16-9-11-18(12-10-16)24-17-7-3-4-8-17/h9-12,15,17H,3-8,13-14H2,1-2H3,(H,21,22)/t15-,20-/m1/s1
InChIKeyYWWRJSWPNZDUTN-FOIQADDNSA-N
XLogP4.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentyloxyphenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246808
cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
CID 100706928
cis-(1S,3S)-N-[4-(2-bromoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706082
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 133246150
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706109
cis-(1S,3S)-1-methoxy-3-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100705982
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271
cis-(1R,3R)-1-methoxy-3-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100706654
trans-(1S,3R)-N-(3-chloro-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707553
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (CID 100705713) is cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is CO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1.
What is the InChIKey of cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is YWWRJSWPNZDUTN-FOIQADDNSA-N. The full InChI is InChI=1S/C20H29NO3/c1-15-6-5-13-20(14-15,23-2)19(22)21-16-9-11-18(12-10-16)24-17-7-3-4-8-17/h9-12,15,17H,3-8,13-14H2,1-2H3,(H,21,22)/t15-,20-/m1/s1.
What are the key properties of cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100705713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).