(2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide

C23H31N2O4P — CID 11080507

IUPAC(2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide
SMILESCC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H31N2O4P/c1-18(25-23(26)22(24)17-19-11-5-2-6-12-19)30(27,28-20-13-7-3-8-14-20)29-21-15-9-4-10-16-21/h3-4,7-10,13-16,18-19,22H,2,5-6,11-12,17,24H2,1H3,(H,25,26)/t18?,22-/m0/s1
InChIKeyHVIYSVPMUJEINS-YSYXNDDBSA-N
MW430.49 g/mol
LogP5.10
Rot. Bonds9

About (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide

(2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide (PubChem CID 11080507) has the molecular formula C23H31N2O4P and a molecular weight of 430.49 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide
PubChem CID11080507
Molecular FormulaC23H31N2O4P
Molecular Weight430.49 g/mol
Exact Mass430.20
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide
SMILESCC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H31N2O4P/c1-18(25-23(26)22(24)17-19-11-5-2-6-12-19)30(27,28-20-13-7-3-8-14-20)29-21-15-9-4-10-16-21/h3-4,7-10,13-16,18-19,22H,2,5-6,11-12,17,24H2,1H3,(H,25,26)/t18?,22-/m0/s1
InChIKeyHVIYSVPMUJEINS-YSYXNDDBSA-N
XLogP5.10
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.49
LogP ≤ 55.10
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

(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
CID 101260297
benzyl (2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-4-methylsulfanylbutanoate
CID 54554752
benzyl (2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-4-methylsulfanylbutanoate;hydrochloride
CID 70619405
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
benzyl (3S)-3-amino-4-cyclohexyl-2-oxobutanoate
CID 175973508
(2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide
CID 10906158
(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-(4-hydroxyanilino)propan-2-yl]propanamide
CID 69195150
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide (CID 11080507) is (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide is CC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide?
The InChIKey is HVIYSVPMUJEINS-YSYXNDDBSA-N. The full InChI is InChI=1S/C23H31N2O4P/c1-18(25-23(26)22(24)17-19-11-5-2-6-12-19)30(27,28-20-13-7-3-8-14-20)29-21-15-9-4-10-16-21/h3-4,7-10,13-16,18-19,22H,2,5-6,11-12,17,24H2,1H3,(H,25,26)/t18?,22-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide?
(2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide has a molecular weight of 430.49 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-(1-diphenoxyphosphorylethyl)propanamide is sourced from PubChem (CID 11080507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).