3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide

C15H23N3O2 — CID 76975359

IUPAC3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
SMILESCCCCN(CC)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-5-11-18(4-2)15(19)13(14(16)17-20)12-9-7-6-8-10-12/h6-10,13,20H,3-5,11H2,1-2H3,(H2,16,17)
InChIKeyAIDMVQHTZYQOOS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.17
Rot. Bonds7

About 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide

3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide (PubChem CID 76975359) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
PubChem CID76975359
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
SMILESCCCCN(CC)C(=O)C(C(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-5-11-18(4-2)15(19)13(14(16)17-20)12-9-7-6-8-10-12/h6-10,13,20H,3-5,11H2,1-2H3,(H2,16,17)
InChIKeyAIDMVQHTZYQOOS-UHFFFAOYSA-N
XLogP2.17
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
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-N,N-dibutyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876706
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
3-amino-3-hydroxyimino-N-methyl-N-(4-methylpentan-2-yl)-2-phenylpropanamide
CID 76975541
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
CID 76975466
N-butyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-phenylbutanamide
CID 77047541
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
CID 76975517
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
CID 76975498
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877901

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide?
The IUPAC name of 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide (CID 76975359) is 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide is CCCCN(CC)C(=O)C(C(N)=NO)c1ccccc1.
What is the InChIKey of 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide?
The InChIKey is AIDMVQHTZYQOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-11-18(4-2)15(19)13(14(16)17-20)12-9-7-6-8-10-12/h6-10,13,20H,3-5,11H2,1-2H3,(H2,16,17).
What are the key properties of 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide?
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide is sourced from PubChem (CID 76975359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).