3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide

C14H21N3O2 — CID 76926765

IUPAC3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)C)cc1)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-9(12(15)17-19)13(18)16-11-7-5-10(6-8-11)14(2,3)4/h5-9,19H,1-4H3,(H2,15,17)(H,16,18)
InChIKeyOYBCRLJKWRREBM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds3

About 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76926765) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76926765
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)C)cc1)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-9(12(15)17-19)13(18)16-11-7-5-10(6-8-11)14(2,3)4/h5-9,19H,1-4H3,(H2,15,17)(H,16,18)
InChIKeyOYBCRLJKWRREBM-UHFFFAOYSA-N
XLogP2.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
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-(4-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926907
3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 76925190
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyimino-2-methylpropanamide
CID 76926011
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
3-amino-3-hydroxyimino-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 76925740
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 76925346
2-(N'-hydroxycarbamimidoyl)-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 76924719
4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
CID 7847449
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide (CID 76926765) is 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)Nc1ccc(C(C)(C)C)cc1)C(N)=NO.
What is the InChIKey of 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is OYBCRLJKWRREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(12(15)17-19)13(18)16-11-7-5-10(6-8-11)14(2,3)4/h5-9,19H,1-4H3,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76926765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).