2-(methylamino)-N-pentadecan-3-ylacetamide

C18H38N2O — CID 156639958

IUPAC2-(methylamino)-N-pentadecan-3-ylacetamide
SMILESCCCCCCCCCCCCC(CC)NC(=O)CNC
InChIInChI=1S/C18H38N2O/c1-4-6-7-8-9-10-11-12-13-14-15-17(5-2)20-18(21)16-19-3/h17,19H,4-16H2,1-3H3,(H,20,21)
InChIKeyMIEWAPSQQLSIHG-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.41
Rot. Bonds15

About 2-(methylamino)-N-pentadecan-3-ylacetamide

2-(methylamino)-N-pentadecan-3-ylacetamide (PubChem CID 156639958) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-(methylamino)-N-pentadecan-3-ylacetamide.

Molecular Properties

Compound Name2-(methylamino)-N-pentadecan-3-ylacetamide
PubChem CID156639958
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-(methylamino)-N-pentadecan-3-ylacetamide
SMILESCCCCCCCCCCCCC(CC)NC(=O)CNC
InChIInChI=1S/C18H38N2O/c1-4-6-7-8-9-10-11-12-13-14-15-17(5-2)20-18(21)16-19-3/h17,19H,4-16H2,1-3H3,(H,20,21)
InChIKeyMIEWAPSQQLSIHG-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 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 ≤ 54.41
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

2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
CID 119816540
N'-octan-3-ylbutanediamide
CID 82041118
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
N-pentan-3-yldocosanamide
CID 123339332
N-tetradecan-3-ylprop-2-enamide
CID 54185556
2-(heptadecan-3-ylamino)acetic acid
CID 19902938
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
tetracosan-7-ylcarbamic acid
CID 174971308
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-pentadecan-3-ylacetamide?
The IUPAC name of 2-(methylamino)-N-pentadecan-3-ylacetamide (CID 156639958) is 2-(methylamino)-N-pentadecan-3-ylacetamide.
What is the SMILES notation for 2-(methylamino)-N-pentadecan-3-ylacetamide?
The canonical SMILES for 2-(methylamino)-N-pentadecan-3-ylacetamide is CCCCCCCCCCCCC(CC)NC(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-pentadecan-3-ylacetamide?
The InChIKey is MIEWAPSQQLSIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-6-7-8-9-10-11-12-13-14-15-17(5-2)20-18(21)16-19-3/h17,19H,4-16H2,1-3H3,(H,20,21).
What are the key properties of 2-(methylamino)-N-pentadecan-3-ylacetamide?
2-(methylamino)-N-pentadecan-3-ylacetamide has a molecular weight of 298.51 g/mol, XLogP of 4.41, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-pentadecan-3-ylacetamide is sourced from PubChem (CID 156639958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).