N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide

C15H21N3O2 — CID 77039374

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C(N)=NO)C2CC2)cc1C
InChIInChI=1S/C15H21N3O2/c1-9-3-4-11(7-10(9)2)8-13(19)17-14(12-5-6-12)15(16)18-20/h3-4,7,12,14,20H,5-6,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyGGYKVAHVQVIAOU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.49
Rot. Bonds5

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 77039374) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID77039374
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C(N)=NO)C2CC2)cc1C
InChIInChI=1S/C15H21N3O2/c1-9-3-4-11(7-10(9)2)8-13(19)17-14(12-5-6-12)15(16)18-20/h3-4,7,12,14,20H,5-6,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyGGYKVAHVQVIAOU-UHFFFAOYSA-N
XLogP1.49
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.49
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-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-(4-methylphenyl)propanamide
CID 77039299
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromo-2-methylbenzamide
CID 77064909
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
CID 77037057
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-methylpyridine-2-carboxamide
CID 77038548
phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate
CID 77038404
2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
CID 62695176
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]pentanedioic acid
CID 61142501
methyl (2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoate
CID 18157841
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-hydroxy-3-methoxybenzamide
CID 77038559

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide (CID 77039374) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NC(C(N)=NO)C2CC2)cc1C.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is GGYKVAHVQVIAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-3-4-11(7-10(9)2)8-13(19)17-14(12-5-6-12)15(16)18-20/h3-4,7,12,14,20H,5-6,8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 77039374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).