N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide

C25H33N2O2P — CID 167682088

IUPACN-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33N2O2P/c1-2-11-24(28)26-22-16-9-10-17-23(22)27-25(29)18-19-30(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,22-23H,2,9-11,16-19H2,1H3,(H,26,28)(H,27,29)/t22-,23-/m1/s1
InChIKeyYYWWTJOMXMJAHL-DHIUTWEWSA-N
MW424.52 g/mol
LogP3.85
Rot. Bonds9

About N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide

N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide (PubChem CID 167682088) has the molecular formula C25H33N2O2P and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide
PubChem CID167682088
Molecular FormulaC25H33N2O2P
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33N2O2P/c1-2-11-24(28)26-22-16-9-10-17-23(22)27-25(29)18-19-30(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,22-23H,2,9-11,16-19H2,1H3,(H,26,28)(H,27,29)/t22-,23-/m1/s1
InChIKeyYYWWTJOMXMJAHL-DHIUTWEWSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide?
The IUPAC name of N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide (CID 167682088) is N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide.
What is the SMILES notation for N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide?
The canonical SMILES for N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide is CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide?
The InChIKey is YYWWTJOMXMJAHL-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H33N2O2P/c1-2-11-24(28)26-22-16-9-10-17-23(22)27-25(29)18-19-30(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,22-23H,2,9-11,16-19H2,1H3,(H,26,28)(H,27,29)/t22-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide?
N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide has a molecular weight of 424.52 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide is sourced from PubChem (CID 167682088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).