N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide

C22H30NO4P — CID 15696113

IUPACN-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
SMILESCC(C)OP(=O)(OC(C)C)C(Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C22H30NO4P/c1-17(2)26-28(25,27-18(3)4)22(16-20-13-9-6-10-14-20)23-21(24)15-19-11-7-5-8-12-19/h5-14,17-18,22H,15-16H2,1-4H3,(H,23,24)
InChIKeyDDVZEUOZAMWQKR-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.96
Rot. Bonds10

About N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide

N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide (PubChem CID 15696113) has the molecular formula C22H30NO4P and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
PubChem CID15696113
Molecular FormulaC22H30NO4P
Molecular Weight403.46 g/mol
Exact Mass403.19
IUPAC NameN-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
SMILESCC(C)OP(=O)(OC(C)C)C(Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C22H30NO4P/c1-17(2)26-28(25,27-18(3)4)22(16-20-13-9-6-10-14-20)23-21(24)15-19-11-7-5-8-12-19/h5-14,17-18,22H,15-16H2,1-4H3,(H,23,24)
InChIKeyDDVZEUOZAMWQKR-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
CID 15696112
(2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide
CID 7034746
2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-phenylpropanoic acid
CID 11484292
tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
CID 10570312
N-(1-diethoxyphosphoryl-2-phenylethyl)-11-ethylsulfanylundecanamide
CID 19737346
[1-[(2-chloroacetyl)amino]-2-phenylethyl]phosphonic acid
CID 14210110
N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
CID 142272492
N-(1-methoxy-2-methylpropyl)-2-phenylacetamide
CID 58769252
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776

Frequently Asked Questions

What is the IUPAC name of N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide?
The IUPAC name of N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide (CID 15696113) is N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide is CC(C)OP(=O)(OC(C)C)C(Cc1ccccc1)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide?
The InChIKey is DDVZEUOZAMWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NO4P/c1-17(2)26-28(25,27-18(3)4)22(16-20-13-9-6-10-14-20)23-21(24)15-19-11-7-5-8-12-19/h5-14,17-18,22H,15-16H2,1-4H3,(H,23,24).
What are the key properties of N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide?
N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide has a molecular weight of 403.46 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide is sourced from PubChem (CID 15696113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).