4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide

C17H20N2O — CID 115161110

IUPAC4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-3-5-14(6-4-13)11-12-19-17(20)15-7-9-16(18-2)10-8-15/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyOEQRHOFYHJGJSF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.01
Rot. Bonds5

About 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide

4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide (PubChem CID 115161110) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
PubChem CID115161110
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-3-5-14(6-4-13)11-12-19-17(20)15-7-9-16(18-2)10-8-15/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyOEQRHOFYHJGJSF-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
CID 83114529
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol
CID 142267383
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide (CID 115161110) is 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide is CNc1ccc(C(=O)NCCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is OEQRHOFYHJGJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-3-5-14(6-4-13)11-12-19-17(20)15-7-9-16(18-2)10-8-15/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide?
4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 115161110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).