cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide

C20H31NO3 — CID 100714327

IUPACcis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1
InChIInChI=1S/C20H31NO3/c1-4-13-23-18-10-8-17(9-11-18)21-19(22)20(24-14-5-2)12-6-7-16(3)15-20/h8-11,16H,4-7,12-15H2,1-3H3,(H,21,22)/t16-,20-/m0/s1
InChIKeyJSIXJUKIYIMVGB-JXFKEZNVSA-N
MW333.47 g/mol
LogP4.79
Rot. Bonds8

About cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide

cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 100714327) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
PubChem CID100714327
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Namecis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1
InChIInChI=1S/C20H31NO3/c1-4-13-23-18-10-8-17(9-11-18)21-19(22)20(24-14-5-2)12-6-7-16(3)15-20/h8-11,16H,4-7,12-15H2,1-3H3,(H,21,22)/t16-,20-/m0/s1
InChIKeyJSIXJUKIYIMVGB-JXFKEZNVSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3S)-3-methyl-N-(4-phenylmethoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100714548
trans-(1S,3R)-N-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100715354
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100715258
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100732389
N-[4-[2-(diethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246817
trans-(1S,3R)-N-(6-butoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778472
cis-(1S,3S)-1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-3-methylcyclohexane-1-carboxamide
CID 100706928
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246824
trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778455
cis-(1S,3S)-N-[4-(2-bromoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100706082
cis-(1R,3R)-N-(2-cyano-4-propoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768083

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide (CID 100714327) is cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1.
What is the InChIKey of cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is JSIXJUKIYIMVGB-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H31NO3/c1-4-13-23-18-10-8-17(9-11-18)21-19(22)20(24-14-5-2)12-6-7-16(3)15-20/h8-11,16H,4-7,12-15H2,1-3H3,(H,21,22)/t16-,20-/m0/s1.
What are the key properties of cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100714327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).