N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C23H28N2O4 — CID 60516641

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-4-15-29-20-11-7-18(8-12-20)21(26)13-14-22(27)24-19-9-5-17(6-10-19)16-23(28)25(2)3/h5-12H,4,13-16H2,1-3H3,(H,24,27)
InChIKeySKRAEOSVAVOXHE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.71
Rot. Bonds10

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 60516641) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID60516641
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-4-15-29-20-11-7-18(8-12-20)21(26)13-14-22(27)24-19-9-5-17(6-10-19)16-23(28)25(2)3/h5-12H,4,13-16H2,1-3H3,(H,24,27)
InChIKeySKRAEOSVAVOXHE-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55509603
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028237
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 60516641) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is SKRAEOSVAVOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-15-29-20-11-7-18(8-12-20)21(26)13-14-22(27)24-19-9-5-17(6-10-19)16-23(28)25(2)3/h5-12H,4,13-16H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 396.49 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 60516641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).