4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide

C16H34N2O2 — CID 106286630

IUPAC4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C16H34N2O2/c1-4-7-13(10-11-17)8-9-16(20)18-12-15(19)14(5-2)6-3/h13-15,19H,4-12,17H2,1-3H3,(H,18,20)
InChIKeyBOVBOCHUVOCEAB-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.44
Rot. Bonds12

About 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide

4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide (PubChem CID 106286630) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
PubChem CID106286630
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C16H34N2O2/c1-4-7-13(10-11-17)8-9-16(20)18-12-15(19)14(5-2)6-3/h13-15,19H,4-12,17H2,1-3H3,(H,18,20)
InChIKeyBOVBOCHUVOCEAB-UHFFFAOYSA-N
XLogP2.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide
CID 106337200
6-amino-4-ethyl-N-(2-methoxypropyl)hexanamide
CID 102694994
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
CID 119784017
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide (CID 106286630) is 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide is CCCC(CCN)CCC(=O)NCC(O)C(CC)CC.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide?
The InChIKey is BOVBOCHUVOCEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-7-13(10-11-17)8-9-16(20)18-12-15(19)14(5-2)6-3/h13-15,19H,4-12,17H2,1-3H3,(H,18,20).
What are the key properties of 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide?
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide has a molecular weight of 286.46 g/mol, XLogP of 2.44, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide is sourced from PubChem (CID 106286630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).