N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide

C20H24N2O2 — CID 86979126

IUPACN-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-7-9-17(10-8-15)19(23)11-12-20(24)21-18-6-4-5-16(13-18)14-22(2)3/h4-10,13H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyCNRNTXJVKXRSSD-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.66
Rot. Bonds7

About N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide

N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 86979126) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID86979126
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-7-9-17(10-8-15)19(23)11-12-20(24)21-18-6-4-5-16(13-18)14-22(2)3/h4-10,13H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyCNRNTXJVKXRSSD-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
2-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzoyl]amino]acetic acid
CID 75429323
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108746207

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide (CID 86979126) is N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cccc(CN(C)C)c2)cc1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is CNRNTXJVKXRSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-9-17(10-8-15)19(23)11-12-20(24)21-18-6-4-5-16(13-18)14-22(2)3/h4-10,13H,11-12,14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide?
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 324.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 86979126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).