(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide

C19H24N2O3 — CID 59698233

IUPAC(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide
SMILESCc1ccc(-c2ccc(C(C)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-12-4-6-16(7-5-12)17-10-8-15(9-11-17)13(2)20-18(14(3)22)19(23)21-24/h4-11,13-14,18,20,22,24H,1-3H3,(H,21,23)/t13?,14-,18+/m1/s1
InChIKeyNKWYAGYNTAZOLC-HJFZTSBYSA-N
MW328.41 g/mol
LogP2.57
Rot. Bonds6

About (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide

(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide (PubChem CID 59698233) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide
PubChem CID59698233
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide
SMILESCc1ccc(-c2ccc(C(C)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-12-4-6-16(7-5-12)17-10-8-15(9-11-17)13(2)20-18(14(3)22)19(23)21-24/h4-11,13-14,18,20,22,24H,1-3H3,(H,21,23)/t13?,14-,18+/m1/s1
InChIKeyNKWYAGYNTAZOLC-HJFZTSBYSA-N
XLogP2.57
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.57
H-Bond Donors ≤ 54
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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Related Compounds

(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide
CID 59697640
(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)propylamino]butanamide;methane
CID 159384207
N-[(3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide
CID 59417442
methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
CID 43732410
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-nitrophenyl)benzamide
CID 59698158
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate
CID 79392498
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 141298462
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-N-prop-2-ynylpropanamide
CID 81356785

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide?
The IUPAC name of (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide (CID 59698233) is (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide.
What is the SMILES notation for (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide?
The canonical SMILES for (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide is Cc1ccc(-c2ccc(C(C)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1.
What is the InChIKey of (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide?
The InChIKey is NKWYAGYNTAZOLC-HJFZTSBYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-4-6-16(7-5-12)17-10-8-15(9-11-17)13(2)20-18(14(3)22)19(23)21-24/h4-11,13-14,18,20,22,24H,1-3H3,(H,21,23)/t13?,14-,18+/m1/s1.
What are the key properties of (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide?
(2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide has a molecular weight of 328.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,3-dihydroxy-2-[1-[4-(4-methylphenyl)phenyl]ethylamino]butanamide is sourced from PubChem (CID 59698233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).