3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide

C16H26N2O2 — CID 82152722

IUPAC3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)COc1ccc(CCC(=O)NC(C)C)cc1N
InChIInChI=1S/C16H26N2O2/c1-11(2)10-20-15-7-5-13(9-14(15)17)6-8-16(19)18-12(3)4/h5,7,9,11-12H,6,8,10,17H2,1-4H3,(H,18,19)
InChIKeyISADFIZHHSRIEF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.76
Rot. Bonds7

About 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide

3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide (PubChem CID 82152722) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
PubChem CID82152722
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
SMILESCC(C)COc1ccc(CCC(=O)NC(C)C)cc1N
InChIInChI=1S/C16H26N2O2/c1-11(2)10-20-15-7-5-13(9-14(15)17)6-8-16(19)18-12(3)4/h5,7,9,11-12H,6,8,10,17H2,1-4H3,(H,18,19)
InChIKeyISADFIZHHSRIEF-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide 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

3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123
3-[3-amino-4-(2-methylpropoxy)phenyl]-1-piperidin-1-ylpropan-1-one
CID 82153351
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
CID 82152706
N-[3-[3-amino-4-(2-methylpropoxy)phenyl]propyl]cycloheptanamine
CID 94759806

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide (CID 82152722) is 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide is CC(C)COc1ccc(CCC(=O)NC(C)C)cc1N.
What is the InChIKey of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide?
The InChIKey is ISADFIZHHSRIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)10-20-15-7-5-13(9-14(15)17)6-8-16(19)18-12(3)4/h5,7,9,11-12H,6,8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide?
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 82152722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).