Skip to content

Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide

C19H26N2O3 — CID 100757213

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1
InChIInChI=1S/C19H26N2O3/c1-13(2)24-17-8-7-16(10-15(17)12-20)21-18(22)19(23-4)9-5-6-14(3)11-19/h7-8,10,13-14H,5-6,9,11H2,1-4H3,(H,21,22)/t14-,19-/m0/s1
InChIKeyCBWHVLZLNIJAEC-LIRRHRJNSA-N
MW330.43 g/mol
LogP3.88
Rot. Bonds5

About Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide

Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (PubChem CID 100757213) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameCis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
PubChem CID100757213
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namecis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1
InChIInChI=1S/C19H26N2O3/c1-13(2)24-17-8-7-16(10-15(17)12-20)21-18(22)19(23-4)9-5-6-14(3)11-19/h7-8,10,13-14H,5-6,9,11H2,1-4H3,(H,21,22)/t14-,19-/m0/s1
InChIKeyCBWHVLZLNIJAEC-LIRRHRJNSA-N
XLogP3.88
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide (CID 100757213) is cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1.
What is the InChIKey of Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is CBWHVLZLNIJAEC-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)24-17-8-7-16(10-15(17)12-20)21-18(22)19(23-4)9-5-6-14(3)11-19/h7-8,10,13-14H,5-6,9,11H2,1-4H3,(H,21,22)/t14-,19-/m0/s1.
What are the key properties of Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide?
Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Cis-(1S,3S)-N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100757213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.