3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide

C14H21N3O2 — CID 79756969

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-10-6-4-5-7-11(10)8-9-16-13(18)14(2,3)12(15)17-19/h4-7,19H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyUFQRBFQOZRZXAF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds5

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 79756969) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID79756969
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-10-6-4-5-7-11(10)8-9-16-13(18)14(2,3)12(15)17-19/h4-7,19H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyUFQRBFQOZRZXAF-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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

3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
3-amino-3-hydroxyimino-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756212
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 113250799
(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63241744
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919712
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
CID 104866162

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide (CID 79756969) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is UFQRBFQOZRZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-6-4-5-7-11(10)8-9-16-13(18)14(2,3)12(15)17-19/h4-7,19H,8-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 79756969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).