N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide

C14H21ClN2O2 — CID 28995562

IUPACN-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H21ClN2O2/c1-4-14(2,3)19-8-7-13(18)17-12-6-5-10(15)9-11(12)16/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,18)
InChIKeyIBRGYGBIJOLBLD-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.46
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide

N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide (PubChem CID 28995562) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
PubChem CID28995562
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H21ClN2O2/c1-4-14(2,3)19-8-7-13(18)17-12-6-5-10(15)9-11(12)16/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,18)
InChIKeyIBRGYGBIJOLBLD-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide 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

N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995566
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide
CID 28995587
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66234702
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide (CID 28995562) is N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide is CCC(C)(C)OCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
The InChIKey is IBRGYGBIJOLBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-14(2,3)19-8-7-13(18)17-12-6-5-10(15)9-11(12)16/h5-6,9H,4,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide has a molecular weight of 284.79 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide is sourced from PubChem (CID 28995562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).