N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide

C15H22N2O — CID 156841315

IUPACN-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
SMILESCC(C)=C(C)c1cc(C(=O)NCCN)ccc1C
InChIInChI=1S/C15H22N2O/c1-10(2)12(4)14-9-13(6-5-11(14)3)15(18)17-8-7-16/h5-6,9H,7-8,16H2,1-4H3,(H,17,18)
InChIKeySBAAYTZRROKPID-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.50
Rot. Bonds4

About N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide

N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide (PubChem CID 156841315) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
PubChem CID156841315
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
SMILESCC(C)=C(C)c1cc(C(=O)NCCN)ccc1C
InChIInChI=1S/C15H22N2O/c1-10(2)12(4)14-9-13(6-5-11(14)3)15(18)17-8-7-16/h5-6,9H,7-8,16H2,1-4H3,(H,17,18)
InChIKeySBAAYTZRROKPID-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
3-(2-aminocyclohexen-1-yl)-N-(2-aminoethyl)-4-methylbenzamide
CID 156841400
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide?
The IUPAC name of N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide (CID 156841315) is N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide is CC(C)=C(C)c1cc(C(=O)NCCN)ccc1C.
What is the InChIKey of N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide?
The InChIKey is SBAAYTZRROKPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)12(4)14-9-13(6-5-11(14)3)15(18)17-8-7-16/h5-6,9H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide?
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide is sourced from PubChem (CID 156841315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).