2-(1-aminoethyl)hexadecanamide

C18H38N2O — CID 18355676

IUPAC2-(1-aminoethyl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(C(N)=O)C(C)N
InChIInChI=1S/C18H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(20)21/h16-17H,3-15,19H2,1-2H3,(H2,20,21)
InChIKeyWOHHIWXNZFGBAS-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.53
Rot. Bonds15

About 2-(1-aminoethyl)hexadecanamide

2-(1-aminoethyl)hexadecanamide (PubChem CID 18355676) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-(1-aminoethyl)hexadecanamide.

Molecular Properties

Compound Name2-(1-aminoethyl)hexadecanamide
PubChem CID18355676
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-(1-aminoethyl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(C(N)=O)C(C)N
InChIInChI=1S/C18H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(20)21/h16-17H,3-15,19H2,1-2H3,(H2,20,21)
InChIKeyWOHHIWXNZFGBAS-UHFFFAOYSA-N
XLogP4.53
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-tetradecylhenicosanamide
CID 175222412
2-[(1S)-1-aminopropyl]decanamide
CID 89316918
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
2-amino-4-carbamoyl-3-octadecyldocosanoic acid
CID 174616546
(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534
carbamic acid;undecan-2-amine
CID 175209089
2-aminododecanamide;hydrochloride
CID 14881390
5-carbamoyl-2-hexadecyl-4-methylhenicosanoic acid
CID 90389140
2-[1-(octadecanoylamino)ethyl]octadecanamide
CID 22720109
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)hexadecanamide?
The IUPAC name of 2-(1-aminoethyl)hexadecanamide (CID 18355676) is 2-(1-aminoethyl)hexadecanamide.
What is the SMILES notation for 2-(1-aminoethyl)hexadecanamide?
The canonical SMILES for 2-(1-aminoethyl)hexadecanamide is CCCCCCCCCCCCCCC(C(N)=O)C(C)N.
What is the InChIKey of 2-(1-aminoethyl)hexadecanamide?
The InChIKey is WOHHIWXNZFGBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(20)21/h16-17H,3-15,19H2,1-2H3,(H2,20,21).
What are the key properties of 2-(1-aminoethyl)hexadecanamide?
2-(1-aminoethyl)hexadecanamide has a molecular weight of 298.51 g/mol, XLogP of 4.53, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)hexadecanamide is sourced from PubChem (CID 18355676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).