(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide

C17H25N2O6P — CID 71524733

IUPAC(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccccc2C(C)=O)ON1C
InChIInChI=1S/C17H25N2O6P/c1-5-23-26(22,24-6-2)16-11-15(25-19(16)4)17(21)18-14-10-8-7-9-13(14)12(3)20/h7-10,15-16H,5-6,11H2,1-4H3,(H,18,21)/t15-,16-/m1/s1
InChIKeyZYXYIDCHDNKVPW-HZPDHXFCSA-N
MW384.37 g/mol
LogP3.06
Rot. Bonds8

About (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide

(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 71524733) has the molecular formula C17H25N2O6P and a molecular weight of 384.37 g/mol. Its IUPAC name is (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID71524733
Molecular FormulaC17H25N2O6P
Molecular Weight384.37 g/mol
Exact Mass384.15
IUPAC Name(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccccc2C(C)=O)ON1C
InChIInChI=1S/C17H25N2O6P/c1-5-23-26(22,24-6-2)16-11-15(25-19(16)4)17(21)18-14-10-8-7-9-13(14)12(3)20/h7-10,15-16H,5-6,11H2,1-4H3,(H,18,21)/t15-,16-/m1/s1
InChIKeyZYXYIDCHDNKVPW-HZPDHXFCSA-N
XLogP3.06
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine
CID 72946058
N-(2-acetylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703126
3-benzoyl-1-[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]quinazoline-2,4-dione
CID 86279464
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
ethyl 4-[2-(2-acetylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932316
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 687625
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-acetylphenyl)propanamide
CID 9120134
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
N-(2-acetylphenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 30891872
6-[(2-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45330903
ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
CID 8604583
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143813

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide (CID 71524733) is (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide is CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccccc2C(C)=O)ON1C.
What is the InChIKey of (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is ZYXYIDCHDNKVPW-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25N2O6P/c1-5-23-26(22,24-6-2)16-11-15(25-19(16)4)17(21)18-14-10-8-7-9-13(14)12(3)20/h7-10,15-16H,5-6,11H2,1-4H3,(H,18,21)/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide?
(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 384.37 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 71524733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).