N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride

C14H21ClN2O2 — CID 120829828

IUPACN-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11(15-2)10-16-14(18)9-8-13(17)12-6-4-3-5-7-12;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18);1H
InChIKeyGSCKYFWTLCHKRA-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.80
Rot. Bonds7

About N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride

N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride (PubChem CID 120829828) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
PubChem CID120829828
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11(15-2)10-16-14(18)9-8-13(17)12-6-4-3-5-7-12;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18);1H
InChIKeyGSCKYFWTLCHKRA-UHFFFAOYSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120828900
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
CID 111447676
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120828182
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride (CID 120829828) is N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride is CNC(C)CNC(=O)CCC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride?
The InChIKey is GSCKYFWTLCHKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-11(15-2)10-16-14(18)9-8-13(17)12-6-4-3-5-7-12;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride?
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride is sourced from PubChem (CID 120829828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).