(2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide

C24H32NOP — CID 58921856

IUPAC(2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)N(C(=O)C1CCC[C@@H]1P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C24H32NOP/c1-18(2)25(19(3)4)24(26)22-16-11-17-23(22)27(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19,22-23H,11,16-17H2,1-4H3/t22?,23-/m0/s1
InChIKeyBYILKEJUGHMSLQ-WCSIJFPASA-N
MW381.50 g/mol
LogP4.93
Rot. Bonds6

About (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide

(2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide (PubChem CID 58921856) has the molecular formula C24H32NOP and a molecular weight of 381.50 g/mol. Its IUPAC name is (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide
PubChem CID58921856
Molecular FormulaC24H32NOP
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name(2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)N(C(=O)C1CCC[C@@H]1P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C24H32NOP/c1-18(2)25(19(3)4)24(26)22-16-11-17-23(22)27(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19,22-23H,11,16-17H2,1-4H3/t22?,23-/m0/s1
InChIKeyBYILKEJUGHMSLQ-WCSIJFPASA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.93
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

N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N,N-dibutyl-1-(diphenylphosphoryl)cyclobutanecarboxamide
CID 1909338
(R)-(+)-1,1'-Bis(diphenylphosphino)-2,2'-bis(N,N-diisopropylamido)ferrocene, (R)-CTH-JAFAPhos
CID 11967227
N-cyclohexyl-N-methyl-4-phenylbutanamide
CID 68983837
N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 69102855
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
(1S,2R,4R,7S)-N,N,5,6-tetramethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 10985326
1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 11025347
(1S,2S,4R,7S)-N,N,5,6-tetramethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11433585
(1R,2R,4S,7R)-N,N,5,6-tetramethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 15535631
Diphenyl(dibutylcarbamoylethyl)phosphine
CID 129762766
CID 134899667
CID 134899667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide (CID 58921856) is (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide is CC(C)N(C(=O)C1CCC[C@@H]1P(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is BYILKEJUGHMSLQ-WCSIJFPASA-N. The full InChI is InChI=1S/C24H32NOP/c1-18(2)25(19(3)4)24(26)22-16-11-17-23(22)27(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,18-19,22-23H,11,16-17H2,1-4H3/t22?,23-/m0/s1.
What are the key properties of (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide?
(2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-diphenylphosphanyl-N,N-di(propan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 58921856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).