2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide

C14H20ClN3O2 — CID 75264209

IUPAC2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide
SMILESCC(C)CC(N)=NOCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-10(2)6-13(16)18-20-9-14(19)17-8-11-4-3-5-12(15)7-11/h3-5,7,10H,6,8-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWNHHCSLRQVOLOY-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.29
Rot. Bonds7

About 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide

2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 75264209) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID75264209
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide
SMILESCC(C)CC(N)=NOCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-10(2)6-13(16)18-20-9-14(19)17-8-11-4-3-5-12(15)7-11/h3-5,7,10H,6,8-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyWNHHCSLRQVOLOY-UHFFFAOYSA-N
XLogP2.29
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.29
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
CID 119673570
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
4-O-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851537
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570879
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[(3-chlorophenyl)methyl]-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7699104

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide (CID 75264209) is 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide is CC(C)CC(N)=NOCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is WNHHCSLRQVOLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10(2)6-13(16)18-20-9-14(19)17-8-11-4-3-5-12(15)7-11/h3-5,7,10H,6,8-9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide?
2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 297.79 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 75264209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).