N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide

C17H27N3O2 — CID 120603507

IUPACN-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
SMILESCC(C)CC(C)CC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C17H27N3O2/c1-12(2)10-13(3)11-16(21)20-15-7-5-4-6-14(15)17(22)19-9-8-18/h4-7,12-13H,8-11,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyBMAXOIDFIPURMK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.39
Rot. Bonds8

About N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide

N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide (PubChem CID 120603507) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
PubChem CID120603507
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
SMILESCC(C)CC(C)CC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C17H27N3O2/c1-12(2)10-13(3)11-16(21)20-15-7-5-4-6-14(15)17(22)19-9-8-18/h4-7,12-13H,8-11,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyBMAXOIDFIPURMK-UHFFFAOYSA-N
XLogP2.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
CID 120603471
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(2-aminoethyl)-2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]benzamide
CID 120604289
N-(2-aminoethyl)-2-[3-(2-methylpropylsulfonyl)propanoylamino]benzamide;hydrochloride
CID 120603370
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide
CID 120604319

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide (CID 120603507) is N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide is CC(C)CC(C)CC(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide?
The InChIKey is BMAXOIDFIPURMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)10-13(3)11-16(21)20-15-7-5-4-6-14(15)17(22)19-9-8-18/h4-7,12-13H,8-11,18H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide?
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide is sourced from PubChem (CID 120603507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).