N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide

C20H24N2O — CID 32589817

IUPACN-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(N(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C20H24N2O/c1-15-4-6-16(7-5-15)14-22(19-12-13-19)20(23)17-8-10-18(11-9-17)21(2)3/h4-11,19H,12-14H2,1-3H3
InChIKeyGEZHOJGJEONLOV-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.87
Rot. Bonds5

About N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide

N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 32589817) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID32589817
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccc(N(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C20H24N2O/c1-15-4-6-16(7-5-15)14-22(19-12-13-19)20(23)17-8-10-18(11-9-17)21(2)3/h4-11,19H,12-14H2,1-3H3
InChIKeyGEZHOJGJEONLOV-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 47009631
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55589101
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3791295
N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 584270
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-4-nitrobenzamide
CID 7117775
N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
CID 26348614
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 18817810
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 40963965
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide (CID 32589817) is N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C(=O)c2ccc(N(C)C)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is GEZHOJGJEONLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-4-6-16(7-5-15)14-22(19-12-13-19)20(23)17-8-10-18(11-9-17)21(2)3/h4-11,19H,12-14H2,1-3H3.
What are the key properties of N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide?
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 308.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 32589817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).