3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide

C15H24N2O — CID 55261527

IUPAC3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1cccc(CN)c1
InChIInChI=1S/C15H24N2O/c1-4-13(5-2)11(3)17-15(18)14-8-6-7-12(9-14)10-16/h6-9,11,13H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyZTRMILIKEQXWJK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.70
Rot. Bonds6

About 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide

3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide (PubChem CID 55261527) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
PubChem CID55261527
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1cccc(CN)c1
InChIInChI=1S/C15H24N2O/c1-4-13(5-2)11(3)17-15(18)14-8-6-7-12(9-14)10-16/h6-9,11,13H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyZTRMILIKEQXWJK-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501
methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylpentanoate
CID 82546362
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 62995433
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
3-(aminomethyl)-N-[(2S)-1-(methylideneamino)-1-oxopentan-2-yl]benzamide
CID 154988393
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
butan-2-yl 3-(aminomethyl)benzoate
CID 60903488

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide (CID 55261527) is 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide is CCC(CC)C(C)NC(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide?
The InChIKey is ZTRMILIKEQXWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13(5-2)11(3)17-15(18)14-8-6-7-12(9-14)10-16/h6-9,11,13H,4-5,10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide?
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide has a molecular weight of 248.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide is sourced from PubChem (CID 55261527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).