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

C16H26N2O — CID 114480428

IUPAC4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
SMILESCCC(CC)(CC)NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C16H26N2O/c1-5-16(6-2,7-3)18-11-14-9-8-13(15(17)19)10-12(14)4/h8-10,18H,5-7,11H2,1-4H3,(H2,17,19)
InChIKeyQNEWTBGFNOHRPJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds7

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

4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide (PubChem CID 114480428) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
PubChem CID114480428
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
SMILESCCC(CC)(CC)NCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C16H26N2O/c1-5-16(6-2,7-3)18-11-14-9-8-13(15(17)19)10-12(14)4/h8-10,18H,5-7,11H2,1-4H3,(H2,17,19)
InChIKeyQNEWTBGFNOHRPJ-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-[(3-ethylpentan-3-ylamino)methyl]benzamide
CID 65039687
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
CID 114480437
4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
CID 114480836

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide (CID 114480428) is 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide is CCC(CC)(CC)NCc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide?
The InChIKey is QNEWTBGFNOHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-16(6-2,7-3)18-11-14-9-8-13(15(17)19)10-12(14)4/h8-10,18H,5-7,11H2,1-4H3,(H2,17,19).
What are the key properties of 4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide?
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.15, 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]-3-methylbenzamide is sourced from PubChem (CID 114480428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).