N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide

C19H23N2OP — CID 70134868

IUPACN-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CP(c1ccccc1)c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C19H23N2OP/c1-20(19(22)21-14-8-9-15-21)16-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-16H2,1H3
InChIKeyLSUYMJOKVFVQFE-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.22
Rot. Bonds4

About N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide

N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 70134868) has the molecular formula C19H23N2OP and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID70134868
Molecular FormulaC19H23N2OP
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CP(c1ccccc1)c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C19H23N2OP/c1-20(19(22)21-14-8-9-15-21)16-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-16H2,1H3
InChIKeyLSUYMJOKVFVQFE-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide (CID 70134868) is N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide is CN(CP(c1ccccc1)c1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is LSUYMJOKVFVQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2OP/c1-20(19(22)21-14-8-9-15-21)16-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-16H2,1H3.
What are the key properties of N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 70134868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).