3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide

C13H18ClN3O2 — CID 76979825

IUPAC3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
SMILESCC(C(=O)N(C)C(C)c1ccc(Cl)cc1)C(N)=NO
InChIInChI=1S/C13H18ClN3O2/c1-8(12(15)16-19)13(18)17(3)9(2)10-4-6-11(14)7-5-10/h4-9,19H,1-3H3,(H2,15,16)
InChIKeyGFPPLNCNCFCIRB-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide

3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide (PubChem CID 76979825) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
PubChem CID76979825
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
SMILESCC(C(=O)N(C)C(C)c1ccc(Cl)cc1)C(N)=NO
InChIInChI=1S/C13H18ClN3O2/c1-8(12(15)16-19)13(18)17(3)9(2)10-4-6-11(14)7-5-10/h4-9,19H,1-3H3,(H2,15,16)
InChIKeyGFPPLNCNCFCIRB-UHFFFAOYSA-N
XLogP2.24
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.24
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

(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 62474124
2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 60938421
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
N-[1-(3-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76979761
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 76928325
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 62979413
N-[1-(2-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76979752

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide (CID 76979825) is 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide is CC(C(=O)N(C)C(C)c1ccc(Cl)cc1)C(N)=NO.
What is the InChIKey of 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide?
The InChIKey is GFPPLNCNCFCIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(12(15)16-19)13(18)17(3)9(2)10-4-6-11(14)7-5-10/h4-9,19H,1-3H3,(H2,15,16).
What are the key properties of 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide?
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide has a molecular weight of 283.76 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide is sourced from PubChem (CID 76979825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).