N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide

C21H26N2O2 — CID 75844778

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-23(2)19(15-17-9-5-3-6-10-17)16-22-21(25)14-13-20(24)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3,(H,22,25)
InChIKeyMYGHHDTXHSPHBY-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.94
Rot. Bonds9

About N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide

N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide (PubChem CID 75844778) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
PubChem CID75844778
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-23(2)19(15-17-9-5-3-6-10-17)16-22-21(25)14-13-20(24)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3,(H,22,25)
InChIKeyMYGHHDTXHSPHBY-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
CID 24639990
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003
N-[2-(dimethylamino)-3-phenylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175658
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
N-[2-(dimethylamino)-3-phenylpropyl]-2-(4-fluorophenoxy)acetamide
CID 51305430
N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
CID 9480707
N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
CID 111447676

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide (CID 75844778) is N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide is CN(C)C(CNC(=O)CCC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide?
The InChIKey is MYGHHDTXHSPHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)19(15-17-9-5-3-6-10-17)16-22-21(25)14-13-20(24)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide?
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 75844778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).