4-[(3-ethylpentan-3-ylamino)methyl]benzamide

C15H24N2O — CID 65039687

IUPAC4-[(3-ethylpentan-3-ylamino)methyl]benzamide
SMILESCCC(CC)(CC)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2,6-3)17-11-12-7-9-13(10-8-12)14(16)18/h7-10,17H,4-6,11H2,1-3H3,(H2,16,18)
InChIKeyWQNUVTWCWNHSPM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.84
Rot. Bonds7

About 4-[(3-ethylpentan-3-ylamino)methyl]benzamide

4-[(3-ethylpentan-3-ylamino)methyl]benzamide (PubChem CID 65039687) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3-ethylpentan-3-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-ethylpentan-3-ylamino)methyl]benzamide
PubChem CID65039687
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(3-ethylpentan-3-ylamino)methyl]benzamide
SMILESCCC(CC)(CC)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2,6-3)17-11-12-7-9-13(10-8-12)14(16)18/h7-10,17H,4-6,11H2,1-3H3,(H2,16,18)
InChIKeyWQNUVTWCWNHSPM-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
methyl 2-[(4-carbamoylphenyl)methylamino]-2-methylpropanoate
CID 43787220
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine
CID 65039408
3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 65039298
4-(4-ethylphenyl)benzamide
CID 53425878
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-[(cyanoamino)methyl]benzamide
CID 124908110
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
4-[(2-ethylanilino)methyl]benzamide
CID 28583374

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpentan-3-ylamino)methyl]benzamide?
The IUPAC name of 4-[(3-ethylpentan-3-ylamino)methyl]benzamide (CID 65039687) is 4-[(3-ethylpentan-3-ylamino)methyl]benzamide.
What is the SMILES notation for 4-[(3-ethylpentan-3-ylamino)methyl]benzamide?
The canonical SMILES for 4-[(3-ethylpentan-3-ylamino)methyl]benzamide is CCC(CC)(CC)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-ethylpentan-3-ylamino)methyl]benzamide?
The InChIKey is WQNUVTWCWNHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(5-2,6-3)17-11-12-7-9-13(10-8-12)14(16)18/h7-10,17H,4-6,11H2,1-3H3,(H2,16,18).
What are the key properties of 4-[(3-ethylpentan-3-ylamino)methyl]benzamide?
4-[(3-ethylpentan-3-ylamino)methyl]benzamide has a molecular weight of 248.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpentan-3-ylamino)methyl]benzamide is sourced from PubChem (CID 65039687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).