N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide

C14H21N3O2 — CID 77038382

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(C(N)=NO)C(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)13(14(15)17-19)16-12(18)8-11-6-4-5-10(3)7-11/h4-7,9,13,19H,8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyZSNHOCSLTYGVON-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 77038382) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
PubChem CID77038382
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(C(N)=NO)C(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)13(14(15)17-19)16-12(18)8-11-6-4-5-10(3)7-11/h4-7,9,13,19H,8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyZSNHOCSLTYGVON-UHFFFAOYSA-N
XLogP1.42
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 77039237
1-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(3-methylphenyl)urea
CID 77038244
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
CID 76947804
N'-hydroxy-2-[2-(3-methylphenyl)ethylamino]propanimidamide
CID 77028641
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide (CID 77038382) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC(C(N)=NO)C(C)C)c1.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is ZSNHOCSLTYGVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)13(14(15)17-19)16-12(18)8-11-6-4-5-10(3)7-11/h4-7,9,13,19H,8H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 77038382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).