2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide

C26H24NOP — CID 101436749

IUPAC2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide
SMILESC[C@@H](NC(=O)C1C=CC=C1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NOP/c1-20(21-12-5-2-6-13-21)27-26(28)24-18-11-19-25(24)29(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-20,24H,1H3,(H,27,28)/t20-,24?/m1/s1
InChIKeyMVGUJXZUFFBAOR-CGHJUBPDSA-N
MW397.46 g/mol
LogP5.07
Rot. Bonds6

About 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide

2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide (PubChem CID 101436749) has the molecular formula C26H24NOP and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide
PubChem CID101436749
Molecular FormulaC26H24NOP
Molecular Weight397.46 g/mol
Exact Mass397.16
IUPAC Name2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide
SMILESC[C@@H](NC(=O)C1C=CC=C1P(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NOP/c1-20(21-12-5-2-6-13-21)27-26(28)24-18-11-19-25(24)29(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-20,24H,1H3,(H,27,28)/t20-,24?/m1/s1
InChIKeyMVGUJXZUFFBAOR-CGHJUBPDSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
CID 87708719
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(1R,2R,3R,4S)-2-N,3-N-bis(1-phenylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 101191099
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835939
(1R)-2,2-difluoro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058749
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
(1R,2S,3R,4R)-3-[[(1R)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152610
(1R,2S,3S,4R)-3-[[(1S)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152611

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide (CID 101436749) is 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide is C[C@@H](NC(=O)C1C=CC=C1P(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is MVGUJXZUFFBAOR-CGHJUBPDSA-N. The full InChI is InChI=1S/C26H24NOP/c1-20(21-12-5-2-6-13-21)27-26(28)24-18-11-19-25(24)29(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-20,24H,1H3,(H,27,28)/t20-,24?/m1/s1.
What are the key properties of 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide?
2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 101436749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).