N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride

C15H24ClN3O2 — CID 119719005

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(CC(=O)N(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-16-10-4-5-14(19)17-13-8-6-12(7-9-13)11-15(20)18(2)3;/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19);1H
InChIKeyQHIBYSNHUBIRLJ-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.68
Rot. Bonds7

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119719005) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119719005
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(CC(=O)N(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-16-10-4-5-14(19)17-13-8-6-12(7-9-13)11-15(20)18(2)3;/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19);1H
InChIKeyQHIBYSNHUBIRLJ-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
CID 119742858
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 81178638
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119795197

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride (CID 119719005) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1ccc(CC(=O)N(C)C)cc1.Cl.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is QHIBYSNHUBIRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-16-10-4-5-14(19)17-13-8-6-12(7-9-13)11-15(20)18(2)3;/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19);1H.
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119719005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).