(2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide

C13H21N2OP — CID 71108651

IUPAC(2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide
SMILESCCCC[P@](C)N[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H21N2OP/c1-3-4-10-17(2)15-12(13(14)16)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3,(H2,14,16)/t12-,17+/m1/s1
InChIKeyUJRBGTWKQZNWAB-PXAZEXFGSA-N
MW252.30 g/mol
LogP2.63
Rot. Bonds7

About (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide

(2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide (PubChem CID 71108651) has the molecular formula C13H21N2OP and a molecular weight of 252.30 g/mol. Its IUPAC name is (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide
PubChem CID71108651
Molecular FormulaC13H21N2OP
Molecular Weight252.30 g/mol
Exact Mass252.14
IUPAC Name(2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide
SMILESCCCC[P@](C)N[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H21N2OP/c1-3-4-10-17(2)15-12(13(14)16)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3,(H2,14,16)/t12-,17+/m1/s1
InChIKeyUJRBGTWKQZNWAB-PXAZEXFGSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-2-phenylacetamide
CID 14569005
2-(chloroamino)-2-phenylacetamide
CID 89152727
N'-butyl-2-phenylpropanediamide
CID 70180418
2-phenylheptanamide
CID 67221214
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978
2-anilino-2-phenylacetamide;ethane
CID 142824395
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide (CID 71108651) is (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide is CCCC[P@](C)N[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide?
The InChIKey is UJRBGTWKQZNWAB-PXAZEXFGSA-N. The full InChI is InChI=1S/C13H21N2OP/c1-3-4-10-17(2)15-12(13(14)16)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3,(H2,14,16)/t12-,17+/m1/s1.
What are the key properties of (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide?
(2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide has a molecular weight of 252.30 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[butyl(methyl)phosphanyl]amino]-2-phenylacetamide is sourced from PubChem (CID 71108651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).