2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride

C14H23ClN2O — CID 119322588

IUPAC2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
SMILESCC(C)c1ccc(CCCNC(=O)CN)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11(2)13-7-5-12(6-8-13)4-3-9-16-14(17)10-15;/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17);1H
InChIKeyUFIRSYDHRSLLEI-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride

2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride (PubChem CID 119322588) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
PubChem CID119322588
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
SMILESCC(C)c1ccc(CCCNC(=O)CN)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11(2)13-7-5-12(6-8-13)4-3-9-16-14(17)10-15;/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17);1H
InChIKeyUFIRSYDHRSLLEI-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride 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-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
(2S)-2-amino-4-methylsulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119322592
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid
CID 71019277
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride (CID 119322588) is 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride is CC(C)c1ccc(CCCNC(=O)CN)cc1.Cl.
What is the InChIKey of 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride?
The InChIKey is UFIRSYDHRSLLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-11(2)13-7-5-12(6-8-13)4-3-9-16-14(17)10-15;/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride?
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119322588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).