N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide

C14H21N3O2 — CID 76941527

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O2/c1-10-5-4-6-11(9-10)7-8-12(18)16-14(2,3)13(15)17-19/h4-6,9,19H,7-8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeySDHSNOFDJFGMPZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide (PubChem CID 76941527) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide
PubChem CID76941527
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O2/c1-10-5-4-6-11(9-10)7-8-12(18)16-14(2,3)13(15)17-19/h4-6,9,19H,7-8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeySDHSNOFDJFGMPZ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide
CID 62366573
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212
N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
CID 62521751
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-(3-methylphenyl)propanamide
CID 107867835
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
N-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-(4-bromo-2,2-dimethylbutyl)-3-(3-methylphenyl)propanamide
CID 114149455
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide (CID 76941527) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC(C)(C)C(N)=NO)c1.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is SDHSNOFDJFGMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-5-4-6-11(9-10)7-8-12(18)16-14(2,3)13(15)17-19/h4-6,9,19H,7-8H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 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-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 76941527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).