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

C18H22N2O — CID 62391591

IUPACN-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2ccccc2CC)cc1
InChIInChI=1S/C18H22N2O/c1-3-14-7-5-6-8-16(14)13-20-17-11-9-15(10-12-17)18(21)19-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyWRXCBKHAQXJNOL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.61
Rot. Bonds6

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

N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide (PubChem CID 62391591) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
PubChem CID62391591
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2ccccc2CC)cc1
InChIInChI=1S/C18H22N2O/c1-3-14-7-5-6-8-16(14)13-20-17-11-9-15(10-12-17)18(21)19-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyWRXCBKHAQXJNOL-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
CID 155715091
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4-benzamido-N-ethylbenzamide
CID 17153265
N-ethylbenzamide
CID 160772566
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-ethylbenzamide;hydrochloride
CID 57444995
3-[[4-[(2-hydroxyphenyl)methylamino]benzoyl]amino]propanoic acid
CID 22944663
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 99792432
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide?
The IUPAC name of N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide (CID 62391591) is N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide?
The canonical SMILES for N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide is CCNC(=O)c1ccc(NCc2ccccc2CC)cc1.
What is the InChIKey of N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide?
The InChIKey is WRXCBKHAQXJNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-14-7-5-6-8-16(14)13-20-17-11-9-15(10-12-17)18(21)19-4-2/h5-12,20H,3-4,13H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide?
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide is sourced from PubChem (CID 62391591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).