3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide

C14H22N2O — CID 154376179

IUPAC3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide
SMILESCCN(CC(C)C)c1cccc(C(N)=O)c1C
InChIInChI=1S/C14H22N2O/c1-5-16(9-10(2)3)13-8-6-7-12(11(13)4)14(15)17/h6-8,10H,5,9H2,1-4H3,(H2,15,17)
InChIKeyAFZRDACLOZIENI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds5

About 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide

3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide (PubChem CID 154376179) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide
PubChem CID154376179
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide
SMILESCCN(CC(C)C)c1cccc(C(N)=O)c1C
InChIInChI=1S/C14H22N2O/c1-5-16(9-10(2)3)13-8-6-7-12(11(13)4)14(15)17/h6-8,10H,5,9H2,1-4H3,(H2,15,17)
InChIKeyAFZRDACLOZIENI-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylamino)-2-methylbenzoic acid;hydrochloride
CID 139904487
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
2-[bis(2-methylpropyl)amino]benzenecarbothioamide
CID 61378298
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 55107941
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide
CID 113385837
2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
2-[ethyl(2-ethylbutyl)amino]benzenecarbothioamide
CID 61437567
3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide
CID 144778443

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide (CID 154376179) is 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide is CCN(CC(C)C)c1cccc(C(N)=O)c1C.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide?
The InChIKey is AFZRDACLOZIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-16(9-10(2)3)13-8-6-7-12(11(13)4)14(15)17/h6-8,10H,5,9H2,1-4H3,(H2,15,17).
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide?
3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-2-methylbenzamide is sourced from PubChem (CID 154376179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).