N-[2-(3-methylbutanoylamino)ethyl]dodecanamide

C19H38N2O2 — CID 90261922

IUPACN-[2-(3-methylbutanoylamino)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C19H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-18(22)20-14-15-21-19(23)16-17(2)3/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWNOXKYREAKBUNH-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.19
Rot. Bonds15

About N-[2-(3-methylbutanoylamino)ethyl]dodecanamide

N-[2-(3-methylbutanoylamino)ethyl]dodecanamide (PubChem CID 90261922) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-[2-(3-methylbutanoylamino)ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-(3-methylbutanoylamino)ethyl]dodecanamide
PubChem CID90261922
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN-[2-(3-methylbutanoylamino)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C19H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-18(22)20-14-15-21-19(23)16-17(2)3/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWNOXKYREAKBUNH-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.19
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

N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
ethane;3-methyl-N-nonylbutanamide;prop-1-ene
CID 170638874
N-hexyl-6-methylheptanamide
CID 141197249
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutanoylamino)ethyl]dodecanamide?
The IUPAC name of N-[2-(3-methylbutanoylamino)ethyl]dodecanamide (CID 90261922) is N-[2-(3-methylbutanoylamino)ethyl]dodecanamide.
What is the SMILES notation for N-[2-(3-methylbutanoylamino)ethyl]dodecanamide?
The canonical SMILES for N-[2-(3-methylbutanoylamino)ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-(3-methylbutanoylamino)ethyl]dodecanamide?
The InChIKey is WNOXKYREAKBUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-18(22)20-14-15-21-19(23)16-17(2)3/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-methylbutanoylamino)ethyl]dodecanamide?
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide has a molecular weight of 326.53 g/mol, XLogP of 4.19, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutanoylamino)ethyl]dodecanamide is sourced from PubChem (CID 90261922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).