4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide

C15H32N2O2 — CID 82941851

IUPAC4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
SMILESCCCOCCCNC(=O)CCC(CCC)CCN
InChIInChI=1S/C15H32N2O2/c1-3-6-14(9-10-16)7-8-15(18)17-11-5-13-19-12-4-2/h14H,3-13,16H2,1-2H3,(H,17,18)
InChIKeyGMTAEYKWJWIPOD-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.46
Rot. Bonds13

About 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide

4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide (PubChem CID 82941851) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
PubChem CID82941851
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
SMILESCCCOCCCNC(=O)CCC(CCC)CCN
InChIInChI=1S/C15H32N2O2/c1-3-6-14(9-10-16)7-8-15(18)17-11-5-13-19-12-4-2/h14H,3-13,16H2,1-2H3,(H,17,18)
InChIKeyGMTAEYKWJWIPOD-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
CID 79376552
N'-(3-propoxypropyl)butanediamide
CID 153375512
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide
CID 106337200
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide (CID 82941851) is 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide is CCCOCCCNC(=O)CCC(CCC)CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide?
The InChIKey is GMTAEYKWJWIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-3-6-14(9-10-16)7-8-15(18)17-11-5-13-19-12-4-2/h14H,3-13,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide?
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide has a molecular weight of 272.43 g/mol, XLogP of 2.46, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide is sourced from PubChem (CID 82941851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).