cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C19H34N2O3 — CID 129424835

IUPACcis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H34N2O3/c1-14(2)12-24-13-15(3)20-18(22)16-8-4-5-9-17(16)19(23)21-10-6-7-11-21/h14-17H,4-13H2,1-3H3,(H,20,22)/t15-,16-,17+/m0/s1
InChIKeyWYGCTLZKDDREAU-YESZJQIVSA-N
MW338.49 g/mol
LogP2.59
Rot. Bonds7

About cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 129424835) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID129424835
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Namecis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H34N2O3/c1-14(2)12-24-13-15(3)20-18(22)16-8-4-5-9-17(16)19(23)21-10-6-7-11-21/h14-17H,4-13H2,1-3H3,(H,20,22)/t15-,16-,17+/m0/s1
InChIKeyWYGCTLZKDDREAU-YESZJQIVSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-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

N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanecarboxamide
CID 56823316
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanamine
CID 115615668
N-(3-aminopropyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide;hydrochloride
CID 119406822
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 120556975
cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 133264927
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623326
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
cis-(1S,2R)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623329
2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119451771
ethyl 4-[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109131655

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 129424835) is cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is WYGCTLZKDDREAU-YESZJQIVSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-14(2)12-24-13-15(3)20-18(22)16-8-4-5-9-17(16)19(23)21-10-6-7-11-21/h14-17H,4-13H2,1-3H3,(H,20,22)/t15-,16-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 129424835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).