(2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide

C18H21NO4 — CID 45255036

IUPAC(2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide
SMILESC[C@@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21NO4/c1-13(20)18(2,17(21)19-22)23-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,20,22H,12H2,1-2H3,(H,19,21)/t13-,18+/m1/s1
InChIKeyHKHLJBBDUOPRQN-ACJLOTCBSA-N
MW315.37 g/mol
LogP2.52
Rot. Bonds6

About (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide

(2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide (PubChem CID 45255036) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide
PubChem CID45255036
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide
SMILESC[C@@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21NO4/c1-13(20)18(2,17(21)19-22)23-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,20,22H,12H2,1-2H3,(H,19,21)/t13-,18+/m1/s1
InChIKeyHKHLJBBDUOPRQN-ACJLOTCBSA-N
XLogP2.52
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide?
The IUPAC name of (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide (CID 45255036) is (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide.
What is the SMILES notation for (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide?
The canonical SMILES for (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide is C[C@@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide?
The InChIKey is HKHLJBBDUOPRQN-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13(20)18(2,17(21)19-22)23-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,20,22H,12H2,1-2H3,(H,19,21)/t13-,18+/m1/s1.
What are the key properties of (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide?
(2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide has a molecular weight of 315.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]butanamide is sourced from PubChem (CID 45255036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).