cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C22H30N2O2 — CID 133265792

IUPACcis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C22H30N2O2/c1-23(18-14-16-8-2-3-9-17(16)15-18)21(25)19-10-4-5-11-20(19)22(26)24-12-6-7-13-24/h2-3,8-9,18-20H,4-7,10-15H2,1H3/t19-,20+/m1/s1
InChIKeyVAOWLDADCXPDJR-UXHICEINSA-N
MW354.49 g/mol
LogP3.04
Rot. Bonds3

About cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 133265792) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID133265792
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Namecis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C22H30N2O2/c1-23(18-14-16-8-2-3-9-17(16)15-18)21(25)19-10-4-5-11-20(19)22(26)24-12-6-7-13-24/h2-3,8-9,18-20H,4-7,10-15H2,1H3/t19-,20+/m1/s1
InChIKeyVAOWLDADCXPDJR-UXHICEINSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)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

2-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxamide
CID 110014626
N-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119746215
N-methyl-N-[(2R)-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]cyclopropanecarboxamide
CID 125471376
(2S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 120625197
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
N-benzyl-N-methyl-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132195
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 46197671
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673677
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 133265792) is cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)C1Cc2ccccc2C1.
What is the InChIKey of cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is VAOWLDADCXPDJR-UXHICEINSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(18-14-16-8-2-3-9-17(16)15-18)21(25)19-10-4-5-11-20(19)22(26)24-12-6-7-13-24/h2-3,8-9,18-20H,4-7,10-15H2,1H3/t19-,20+/m1/s1.
What are the key properties of cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 133265792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).