N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide

C20H35NO3 — CID 154607690

IUPACN-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOC1CCCC(C2C[C@H]2NC(=O)C2CCC(C)C(OC)C2)C1
InChIInChI=1S/C20H35NO3/c1-4-24-16-7-5-6-14(10-16)17-12-18(17)21-20(22)15-9-8-13(2)19(11-15)23-3/h13-19H,4-12H2,1-3H3,(H,21,22)/t13?,14?,15?,16?,17?,18-,19?/m1/s1
InChIKeyAKYTVNIXJRDDNU-DUAPJVKHSA-N
MW337.50 g/mol
LogP3.54
Rot. Bonds6

About N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide

N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide (PubChem CID 154607690) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide
PubChem CID154607690
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC NameN-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOC1CCCC(C2C[C@H]2NC(=O)C2CCC(C)C(OC)C2)C1
InChIInChI=1S/C20H35NO3/c1-4-24-16-7-5-6-14(10-16)17-12-18(17)21-20(22)15-9-8-13(2)19(11-15)23-3/h13-19H,4-12H2,1-3H3,(H,21,22)/t13?,14?,15?,16?,17?,18-,19?/m1/s1
InChIKeyAKYTVNIXJRDDNU-DUAPJVKHSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-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 N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide (CID 154607690) is N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide is CCOC1CCCC(C2C[C@H]2NC(=O)C2CCC(C)C(OC)C2)C1.
What is the InChIKey of N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is AKYTVNIXJRDDNU-DUAPJVKHSA-N. The full InChI is InChI=1S/C20H35NO3/c1-4-24-16-7-5-6-14(10-16)17-12-18(17)21-20(22)15-9-8-13(2)19(11-15)23-3/h13-19H,4-12H2,1-3H3,(H,21,22)/t13?,14?,15?,16?,17?,18-,19?/m1/s1.
What are the key properties of N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide?
N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 337.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(3-ethoxycyclohexyl)cyclopropyl]-3-methoxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 154607690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).