N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide

C27H32N2O — CID 15462301

IUPACN-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide
SMILESCN(C(=O)C1C(c2ccccc2)=C1c1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C27H32N2O/c1-28(22-16-8-9-17-23(22)29-18-10-11-19-29)27(30)26-24(20-12-4-2-5-13-20)25(26)21-14-6-3-7-15-21/h2-7,12-15,22-23,26H,8-11,16-19H2,1H3/t22-,23-/m1/s1
InChIKeyXUMODSIILKPTJT-DHIUTWEWSA-N
MW400.57 g/mol
LogP5.09
Rot. Bonds5

About N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide

N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide (PubChem CID 15462301) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide
PubChem CID15462301
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC NameN-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide
SMILESCN(C(=O)C1C(c2ccccc2)=C1c1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C27H32N2O/c1-28(22-16-8-9-17-23(22)29-18-10-11-19-29)27(30)26-24(20-12-4-2-5-13-20)25(26)21-14-6-3-7-15-21/h2-7,12-15,22-23,26H,8-11,16-19H2,1H3/t22-,23-/m1/s1
InChIKeyXUMODSIILKPTJT-DHIUTWEWSA-N
XLogP5.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-9H-fluorene-9-carboxamide
CID 18637947
N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
N-methyl-2-phenylsulfanyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 18603294
(2R)-2-amino-N-methyl-2-phenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 14632742
N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 59918965
N-methyl-2-phenoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877991
N-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 14040444
1,2-dichlorobenzene;methanesulfonic acid;N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22839032
N-methyl-2-(3-phenyl-1-benzofuran-5-yl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 54228499
(2R)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 14632748
N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]-2-(2-thionitrosophenyl)acetamide
CID 70693910
(E)-but-2-enedioic acid;2-(4-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 54611504

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide?
The IUPAC name of N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide (CID 15462301) is N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide.
What is the SMILES notation for N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide?
The canonical SMILES for N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide is CN(C(=O)C1C(c2ccccc2)=C1c1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1.
What is the InChIKey of N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide?
The InChIKey is XUMODSIILKPTJT-DHIUTWEWSA-N. The full InChI is InChI=1S/C27H32N2O/c1-28(22-16-8-9-17-23(22)29-18-10-11-19-29)27(30)26-24(20-12-4-2-5-13-20)25(26)21-14-6-3-7-15-21/h2-7,12-15,22-23,26H,8-11,16-19H2,1H3/t22-,23-/m1/s1.
What are the key properties of N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide?
N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-diphenyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]cycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 15462301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).