(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide

C20H25N2OP — CID 11121360

IUPAC(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N2OP/c1-21(2)20(23)22-15-9-10-17(22)16-24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3/t17-/m0/s1
InChIKeyUNUWJFXTGCUXPZ-KRWDZBQOSA-N
MW340.41 g/mol
LogP3.27
Rot. Bonds4

About (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide

(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 11121360) has the molecular formula C20H25N2OP and a molecular weight of 340.41 g/mol. Its IUPAC name is (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID11121360
Molecular FormulaC20H25N2OP
Molecular Weight340.41 g/mol
Exact Mass340.17
IUPAC Name(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N2OP/c1-21(2)20(23)22-15-9-10-17(22)16-24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3/t17-/m0/s1
InChIKeyUNUWJFXTGCUXPZ-KRWDZBQOSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-(-)-2-(Diphenylphosphinomethyl)-4-(dicyclohexylphosphino)-N-methyl-1-pyrrolidinecarboxamide
CID 9936582
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
(2S,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 134991179
2-(Diphenylphosphoryl)pyrrolidine-1-carboxamide
CID 139600015
2-(diphenylphosphoryl)-N,N-dimethylpyrrolidine1-carboxamide
CID 139600058
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 15446209
(2S)-2-[bis(2-methylphenyl)phosphanylmethyl]-N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
CID 101537935
(2R,4R)-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 10347112
(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
4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 14228076
N-tert-butyl-4-dicyclohexylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxamide
CID 14228077

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide (CID 11121360) is (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC[C@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is UNUWJFXTGCUXPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N2OP/c1-21(2)20(23)22-15-9-10-17(22)16-24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide?
(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 11121360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).