3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide

C16H26N2O — CID 62592093

IUPAC3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H26N2O/c1-12(2)10-13(3)18(4)16(19)15-7-5-6-14(11-15)8-9-17/h5-7,11-13H,8-10,17H2,1-4H3
InChIKeySUURTYYIAZAGCE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds6

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

3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 62592093) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID62592093
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H26N2O/c1-12(2)10-13(3)18(4)16(19)15-7-5-6-14(11-15)8-9-17/h5-7,11-13H,8-10,17H2,1-4H3
InChIKeySUURTYYIAZAGCE-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 55091096
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
3-(2-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62593152
N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide
CID 42951938
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
4-hydrazinyl-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 63211529
3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63697515
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
methyl 3-(2-aminoethyl)benzoate
CID 10511548
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 95872964

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 62592093) is 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)N(C)C(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is SUURTYYIAZAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-13(3)18(4)16(19)15-7-5-6-14(11-15)8-9-17/h5-7,11-13H,8-10,17H2,1-4H3.
What are the key properties of 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide?
3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 262.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 62592093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).