(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide

C14H21N3O4 — CID 71584556

IUPAC(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
SMILESCOc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
InChIInChI=1S/C14H21N3O4/c1-9(2)7-12(13(18)17-20)16-14(19)15-10-5-4-6-11(8-10)21-3/h4-6,8-9,12,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyOWKQRQRELYLWMT-LBPRGKRZSA-N
MW295.34 g/mol
LogP1.74
Rot. Bonds6

About (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide

(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide (PubChem CID 71584556) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
PubChem CID71584556
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
SMILESCOc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
InChIInChI=1S/C14H21N3O4/c1-9(2)7-12(13(18)17-20)16-14(19)15-10-5-4-6-11(8-10)21-3/h4-6,8-9,12,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyOWKQRQRELYLWMT-LBPRGKRZSA-N
XLogP1.74
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.74
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

2-[(3-acetyloxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 108865131
2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
CID 61191979
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031
2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3326622
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43001585
(2R)-2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82860457
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide?
The IUPAC name of (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide (CID 71584556) is (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide is COc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c1.
What is the InChIKey of (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide?
The InChIKey is OWKQRQRELYLWMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(2)7-12(13(18)17-20)16-14(19)15-10-5-4-6-11(8-10)21-3/h4-6,8-9,12,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide?
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide has a molecular weight of 295.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide is sourced from PubChem (CID 71584556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).