N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide

C14H20ClN3O3 — CID 76937574

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
SMILESCC(CN(C)C(=O)C(C)Oc1cccc(Cl)c1)C(N)=NO
InChIInChI=1S/C14H20ClN3O3/c1-9(13(16)17-20)8-18(3)14(19)10(2)21-12-6-4-5-11(15)7-12/h4-7,9-10,20H,8H2,1-3H3,(H2,16,17)
InChIKeyDWCVNCXTSGZRHZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.95
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide (PubChem CID 76937574) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
PubChem CID76937574
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
SMILESCC(CN(C)C(=O)C(C)Oc1cccc(Cl)c1)C(N)=NO
InChIInChI=1S/C14H20ClN3O3/c1-9(13(16)17-20)8-18(3)14(19)10(2)21-12-6-4-5-11(15)7-12/h4-7,9-10,20H,8H2,1-3H3,(H2,16,17)
InChIKeyDWCVNCXTSGZRHZ-UHFFFAOYSA-N
XLogP1.95
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119228819
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 76937630
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79700188

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide (CID 76937574) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide is CC(CN(C)C(=O)C(C)Oc1cccc(Cl)c1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The InChIKey is DWCVNCXTSGZRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-9(13(16)17-20)8-18(3)14(19)10(2)21-12-6-4-5-11(15)7-12/h4-7,9-10,20H,8H2,1-3H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide has a molecular weight of 313.79 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 76937574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).