N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide

C14H18N2O3 — CID 9480707

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
SMILESCN(C)C(=O)CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16(2)14(19)10-15-13(18)9-8-12(17)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyWQUMAIGTHUGICX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide

N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide (PubChem CID 9480707) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
PubChem CID9480707
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
SMILESCN(C)C(=O)CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16(2)14(19)10-15-13(18)9-8-12(17)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyWQUMAIGTHUGICX-UHFFFAOYSA-N
XLogP0.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
3-ethoxy-N-phenacylpropanamide
CID 64991407
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051
N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypropanamide
CID 20719167
2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9480573
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
4-oxo-N,4-diphenylbutanamide
CID 825307

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide (CID 9480707) is N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide is CN(C)C(=O)CNC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is WQUMAIGTHUGICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(2)14(19)10-15-13(18)9-8-12(17)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 262.31 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 9480707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).