2-ethyl-N',N'-di(tetradecyl)butanediamide

C34H68N2O2 — CID 156695816

IUPAC2-ethyl-N',N'-di(tetradecyl)butanediamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CC(CC)C(N)=O
InChIInChI=1S/C34H68N2O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-36(33(37)31-32(6-3)34(35)38)30-28-26-24-22-20-18-16-14-12-10-8-5-2/h32H,4-31H2,1-3H3,(H2,35,38)
InChIKeyLZGXBHWEMHBIPR-UHFFFAOYSA-N
MW536.93 g/mol
LogP10.12
Rot. Bonds30

About 2-ethyl-N',N'-di(tetradecyl)butanediamide

2-ethyl-N',N'-di(tetradecyl)butanediamide (PubChem CID 156695816) has the molecular formula C34H68N2O2 and a molecular weight of 536.93 g/mol. Its IUPAC name is 2-ethyl-N',N'-di(tetradecyl)butanediamide.

Molecular Properties

Compound Name2-ethyl-N',N'-di(tetradecyl)butanediamide
PubChem CID156695816
Molecular FormulaC34H68N2O2
Molecular Weight536.93 g/mol
Exact Mass536.53
IUPAC Name2-ethyl-N',N'-di(tetradecyl)butanediamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CC(CC)C(N)=O
InChIInChI=1S/C34H68N2O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-36(33(37)31-32(6-3)34(35)38)30-28-26-24-22-20-18-16-14-12-10-8-5-2/h32H,4-31H2,1-3H3,(H2,35,38)
InChIKeyLZGXBHWEMHBIPR-UHFFFAOYSA-N
XLogP10.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.93
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide
CID 60963416
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
N',N'-dioctylhexanediamide
CID 53437404
azane;2-ethyldodecanamide
CID 174462460
N'-nonyl-N'-undecylbutanediamide;propane
CID 172578364
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(undecyl)pentanamide
CID 532896
1-butyl-1-dodecylurea
CID 168918855

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N',N'-di(tetradecyl)butanediamide?
The IUPAC name of 2-ethyl-N',N'-di(tetradecyl)butanediamide (CID 156695816) is 2-ethyl-N',N'-di(tetradecyl)butanediamide.
What is the SMILES notation for 2-ethyl-N',N'-di(tetradecyl)butanediamide?
The canonical SMILES for 2-ethyl-N',N'-di(tetradecyl)butanediamide is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CC(CC)C(N)=O.
What is the InChIKey of 2-ethyl-N',N'-di(tetradecyl)butanediamide?
The InChIKey is LZGXBHWEMHBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-36(33(37)31-32(6-3)34(35)38)30-28-26-24-22-20-18-16-14-12-10-8-5-2/h32H,4-31H2,1-3H3,(H2,35,38).
What are the key properties of 2-ethyl-N',N'-di(tetradecyl)butanediamide?
2-ethyl-N',N'-di(tetradecyl)butanediamide has a molecular weight of 536.93 g/mol, XLogP of 10.12, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N',N'-di(tetradecyl)butanediamide is sourced from PubChem (CID 156695816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).