N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide

C20H24N2O2 — CID 42643106

IUPACN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-22(2)20(24)15-11-17-8-12-18(13-9-17)21-19(23)14-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,21,23)
InChIKeyIMKXKSHEBNWESJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.28
Rot. Bonds7

About N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide

N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide (PubChem CID 42643106) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
PubChem CID42643106
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-22(2)20(24)15-11-17-8-12-18(13-9-17)21-19(23)14-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,21,23)
InChIKeyIMKXKSHEBNWESJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide (CID 42643106) is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide is CN(C)C(=O)CCc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide?
The InChIKey is IMKXKSHEBNWESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-22(2)20(24)15-11-17-8-12-18(13-9-17)21-19(23)14-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide?
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 42643106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).