(2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide

C19H31N2O5P — CID 7034746

IUPAC(2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide
SMILESCC(C)OP(=O)(OC(C)C)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H31N2O5P/c1-13(2)25-27(24,26-14(3)4)16(6)21-19(23)15(5)20-18(22)12-17-10-8-7-9-11-17/h7-11,13-16H,12H2,1-6H3,(H,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyNLFSCYJFOJMESP-JKSUJKDBSA-N
MW398.44 g/mol
LogP3.24
Rot. Bonds10

About (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide

(2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide (PubChem CID 7034746) has the molecular formula C19H31N2O5P and a molecular weight of 398.44 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide
PubChem CID7034746
Molecular FormulaC19H31N2O5P
Molecular Weight398.44 g/mol
Exact Mass398.20
IUPAC Name(2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide
SMILESCC(C)OP(=O)(OC(C)C)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H31N2O5P/c1-13(2)25-27(24,26-14(3)4)16(6)21-19(23)15(5)20-18(22)12-17-10-8-7-9-11-17/h7-11,13-16H,12H2,1-6H3,(H,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyNLFSCYJFOJMESP-JKSUJKDBSA-N
XLogP3.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
CID 15696113
N-[(1R)-1-di(propan-2-yloxy)phosphoryl-2-phenylethyl]-2-phenylacetamide
CID 15696112
3-phenyl-2-[[(2R)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoic acid
CID 100996436
benzyl N-[2-[[(2S)-1-[[(2S)-1-[[(1R)-1-dimethoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 54047894
benzyl N-[(2S)-1-[[(2S)-1-[[(1R)-1-dimethoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 54326340
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
N-(1-methoxy-2-methylpropyl)-2-phenylacetamide
CID 58769252
tert-butyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91979566
N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
CID 142272492
[4-methyl-2-[(2-phenylacetyl)amino]pentyl]phosphonic acid
CID 3905845
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide (CID 7034746) is (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide is CC(C)OP(=O)(OC(C)C)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide?
The InChIKey is NLFSCYJFOJMESP-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H31N2O5P/c1-13(2)25-27(24,26-14(3)4)16(6)21-19(23)15(5)20-18(22)12-17-10-8-7-9-11-17/h7-11,13-16H,12H2,1-6H3,(H,20,22)(H,21,23)/t15-,16+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide?
(2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide has a molecular weight of 398.44 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-di(propan-2-yloxy)phosphorylethyl]-2-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 7034746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).