4-amino-N-ethyl-N-phenylbutanamide;hydrochloride

C12H19ClN2O — CID 119261842

IUPAC4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
SMILESCCN(C(=O)CCCN)c1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-2-14(12(15)9-6-10-13)11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10,13H2,1H3;1H
InChIKeyWJBUNLKERLKKNH-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.20
Rot. Bonds5

About 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride

4-amino-N-ethyl-N-phenylbutanamide;hydrochloride (PubChem CID 119261842) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
PubChem CID119261842
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
SMILESCCN(C(=O)CCCN)c1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-2-14(12(15)9-6-10-13)11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10,13H2,1H3;1H
InChIKeyWJBUNLKERLKKNH-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-aminoethylsulfonyl)-N-ethyl-N-phenylacetamide
CID 82179979
7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
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N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
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3-amino-N-ethyl-N-(3-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride (CID 119261842) is 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride is CCN(C(=O)CCCN)c1ccccc1.Cl.
What is the InChIKey of 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride?
The InChIKey is WJBUNLKERLKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-2-14(12(15)9-6-10-13)11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10,13H2,1H3;1H.
What are the key properties of 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride?
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119261842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).