N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide

C20H25N3O2 — CID 119041396

IUPACN-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)NCc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-15-5-7-16(8-6-15)13-22-20(25)23-14-17-9-11-18(12-10-17)19(24)21-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyOYKBYPOVJIBUER-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.00
Rot. Bonds7

About N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide

N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide (PubChem CID 119041396) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
PubChem CID119041396
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)NCc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-15-5-7-16(8-6-15)13-22-20(25)23-14-17-9-11-18(12-10-17)19(24)21-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyOYKBYPOVJIBUER-UHFFFAOYSA-N
XLogP3.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
CID 59903019
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
The IUPAC name of N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide (CID 119041396) is N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
The canonical SMILES for N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide is CCNC(=O)c1ccc(CNC(=O)NCc2ccc(CC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
The InChIKey is OYKBYPOVJIBUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-15-5-7-16(8-6-15)13-22-20(25)23-14-17-9-11-18(12-10-17)19(24)21-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide?
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide is sourced from PubChem (CID 119041396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).