4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide

C18H22N2O — CID 66820082

IUPAC4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
SMILESCCc1ccc(C(N)c2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-13-5-7-14(8-6-13)17(19)15-9-11-16(12-10-15)18(21)20(2)3/h5-12,17H,4,19H2,1-3H3
InChIKeyUWOXDMCBGRVYDJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.00
Rot. Bonds4

About 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide

4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide (PubChem CID 66820082) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
PubChem CID66820082
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
SMILESCCc1ccc(C(N)c2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-13-5-7-14(8-6-13)17(19)15-9-11-16(12-10-15)18(21)20(2)3/h5-12,17H,4,19H2,1-3H3
InChIKeyUWOXDMCBGRVYDJ-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide
CID 129386216
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
4-[[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8992485
4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120668279
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane
CID 177354297
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
CID 134395435
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide
CID 59165706

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide (CID 66820082) is 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide is CCc1ccc(C(N)c2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide?
The InChIKey is UWOXDMCBGRVYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-13-5-7-14(8-6-13)17(19)15-9-11-16(12-10-15)18(21)20(2)3/h5-12,17H,4,19H2,1-3H3.
What are the key properties of 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide?
4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 66820082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).