(1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide

C21H30N2O4 — CID 155501156

IUPAC(1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
SMILESCOc1cccc(CCC(=O)N[C@@H]2C[C@@H](C(=O)NC3CC3)CC[C@H]2OC)c1
InChIInChI=1S/C21H30N2O4/c1-26-17-5-3-4-14(12-17)6-11-20(24)23-18-13-15(7-10-19(18)27-2)21(25)22-16-8-9-16/h3-5,12,15-16,18-19H,6-11,13H2,1-2H3,(H,22,25)(H,23,24)/t15-,18+,19+/m0/s1
InChIKeyZLQYHVOELCJPFX-KFKAGJAMSA-N
MW374.48 g/mol
LogP2.21
Rot. Bonds8

About (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide

(1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide (PubChem CID 155501156) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
PubChem CID155501156
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name(1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
SMILESCOc1cccc(CCC(=O)N[C@@H]2C[C@@H](C(=O)NC3CC3)CC[C@H]2OC)c1
InChIInChI=1S/C21H30N2O4/c1-26-17-5-3-4-14(12-17)6-11-20(24)23-18-13-15(7-10-19(18)27-2)21(25)22-16-8-9-16/h3-5,12,15-16,18-19H,6-11,13H2,1-2H3,(H,22,25)(H,23,24)/t15-,18+,19+/m0/s1
InChIKeyZLQYHVOELCJPFX-KFKAGJAMSA-N
XLogP2.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-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

Related Compounds

4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
(1S,3S,4S)-N-cyclopropyl-3-methoxy-4-[4-(4-methoxyphenyl)butanoylamino]cyclohexane-1-carboxamide
CID 155491944
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809
N-[(1R,2R,5S)-2-methoxy-5-[(3-methoxyphenyl)methylcarbamoyl]cyclohexyl]-1H-pyrrole-3-carboxamide
CID 155918740
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 135114422
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide (CID 155501156) is (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide is COc1cccc(CCC(=O)N[C@@H]2C[C@@H](C(=O)NC3CC3)CC[C@H]2OC)c1.
What is the InChIKey of (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide?
The InChIKey is ZLQYHVOELCJPFX-KFKAGJAMSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-17-5-3-4-14(12-17)6-11-20(24)23-18-13-15(7-10-19(18)27-2)21(25)22-16-8-9-16/h3-5,12,15-16,18-19H,6-11,13H2,1-2H3,(H,22,25)(H,23,24)/t15-,18+,19+/m0/s1.
What are the key properties of (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide?
(1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 155501156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).