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

C15H25ClN2O — CID 119322586

IUPAC3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(CCCNC(=O)CCN)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12(2)14-7-5-13(6-8-14)4-3-11-17-15(18)9-10-16;/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18);1H
InChIKeyKFMZSGRMSHZZAX-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.63
Rot. Bonds7

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

3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride (PubChem CID 119322586) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
PubChem CID119322586
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(CCCNC(=O)CCN)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12(2)14-7-5-13(6-8-14)4-3-11-17-15(18)9-10-16;/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18);1H
InChIKeyKFMZSGRMSHZZAX-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
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
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
methyl 4-[3-(3-aminopropanoylamino)propyl]benzoate
CID 70362485
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 47098552
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide;hydrochloride
CID 119320505
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
(2S)-2-amino-4-methylsulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119322592

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride (CID 119322586) is 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride is CC(C)c1ccc(CCCNC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
The InChIKey is KFMZSGRMSHZZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-12(2)14-7-5-13(6-8-14)4-3-11-17-15(18)9-10-16;/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride?
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119322586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).