3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride

C14H22Cl2N2O — CID 2901361

IUPAC3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride
SMILESCCCCN(C)CCC(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);1H
InChIKeyVYLTYPRSBQQEAA-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.82
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride

3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride (PubChem CID 2901361) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride
PubChem CID2901361
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride
SMILESCCCCN(C)CCC(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);1H
InChIKeyVYLTYPRSBQQEAA-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride (CID 2901361) is 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride is CCCCN(C)CCC(=O)Nc1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
The InChIKey is VYLTYPRSBQQEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride?
3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 2901361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).