N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide

C19H22N2O2 — CID 46760313

IUPACN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-14-6-4-5-7-17(14)19(23)20-16-11-8-15(9-12-16)10-13-18(22)21(2)3/h4-9,11-12H,10,13H2,1-3H3,(H,20,23)
InChIKeyOMLYXMLXARTEPD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds5

About N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide

N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide (PubChem CID 46760313) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
PubChem CID46760313
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-14-6-4-5-7-17(14)19(23)20-16-11-8-15(9-12-16)10-13-18(22)21(2)3/h4-9,11-12H,10,13H2,1-3H3,(H,20,23)
InChIKeyOMLYXMLXARTEPD-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 46760697
2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
CID 54784881
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
2-bromo-N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]benzamide
CID 46760702
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
CID 170896427
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide (CID 46760313) is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(CCC(=O)N(C)C)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide?
The InChIKey is OMLYXMLXARTEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-6-4-5-7-17(14)19(23)20-16-11-8-15(9-12-16)10-13-18(22)21(2)3/h4-9,11-12H,10,13H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide?
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.27, 5 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]-2-methylbenzamide is sourced from PubChem (CID 46760313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).