(2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide

C32H46N2OP2 — CID 10347112

IUPAC(2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H46N2OP2/c1-2-33-32(35)34-24-31(37(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-26(34)25-36(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-4,7-10,15-18,26,29-31H,2,5-6,11-14,19-25H2,1H3,(H,33,35)/t26-,31-/m1/s1
InChIKeyHRTJETHXSPKADF-MXBOTTGLSA-N
MW536.68 g/mol
LogP7.44
Rot. Bonds8

About (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide

(2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide (PubChem CID 10347112) has the molecular formula C32H46N2OP2 and a molecular weight of 536.68 g/mol. Its IUPAC name is (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide
PubChem CID10347112
Molecular FormulaC32H46N2OP2
Molecular Weight536.68 g/mol
Exact Mass536.31
IUPAC Name(2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H46N2OP2/c1-2-33-32(35)34-24-31(37(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-26(34)25-36(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-4,7-10,15-18,26,29-31H,2,5-6,11-14,19-25H2,1H3,(H,33,35)/t26-,31-/m1/s1
InChIKeyHRTJETHXSPKADF-MXBOTTGLSA-N
XLogP7.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-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

(1,3-Dicyclohexylureidocarbonylmethylene)triphenylphosphorane
CID 129879064
(2S,4S)-(-)-2-(Diphenylphosphinomethyl)-4-(dicyclohexylphosphino)-N-methyl-1-pyrrolidinecarboxamide
CID 9936582
(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 11121360
(2S,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 134991179
(2S,4S)-4-(Diphenylphosphanyl)-2-((diphenylphosphanyl)methyl)-N-methylpyrrolidine-1-carboxamide
CID 10391606
(2R,4R)-(+)-2-(Diphenylphosphinomethyl)-4-(dicyclohexylphosphino)-N-methyl-1-pyrrolidinecarboxamide
CID 11731056
1-[(2S,4S)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
CID 14228071
4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 14228076
N-tert-butyl-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxamide
CID 14228077
(2S,4S)-N-tert-butyl-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxamide
CID 14228078
Dicyclohexyl-[5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]phosphane
CID 14646167
(2S,4S)-4-dicyclohexylphosphino-2-diphenylphosphinomethylpyrrolidine
CID 14646168

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide (CID 10347112) is (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is HRTJETHXSPKADF-MXBOTTGLSA-N. The full InChI is InChI=1S/C32H46N2OP2/c1-2-33-32(35)34-24-31(37(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-26(34)25-36(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-4,7-10,15-18,26,29-31H,2,5-6,11-14,19-25H2,1H3,(H,33,35)/t26-,31-/m1/s1.
What are the key properties of (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide?
(2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 536.68 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 10347112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).