N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide

C23H28N2O3 — CID 39295648

IUPACN,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)14-17-8-10-18(11-9-17)21(26)12-13-22(27)24-20-7-5-6-19(15-20)23(28)25(3)4/h5-11,15-16H,12-14H2,1-4H3,(H,24,27)
InChIKeyMRLDCVORKOKSBS-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.19
Rot. Bonds8

About N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide

N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide (PubChem CID 39295648) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide
PubChem CID39295648
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)14-17-8-10-18(11-9-17)21(26)12-13-22(27)24-20-7-5-6-19(15-20)23(28)25(3)4/h5-11,15-16H,12-14H2,1-4H3,(H,24,27)
InChIKeyMRLDCVORKOKSBS-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110612663
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
N-(3-amino-4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119419812
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 86979126
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide (CID 39295648) is N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide is CC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide?
The InChIKey is MRLDCVORKOKSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)14-17-8-10-18(11-9-17)21(26)12-13-22(27)24-20-7-5-6-19(15-20)23(28)25(3)4/h5-11,15-16H,12-14H2,1-4H3,(H,24,27).
What are the key properties of N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide?
N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 39295648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).