N,N-bis(2-ethylhexyl)butanamide

C20H41NO — CID 533363

IUPACN,N-bis(2-ethylhexyl)butanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC
InChIInChI=1S/C20H41NO/c1-6-11-14-18(9-4)16-21(20(22)13-8-3)17-19(10-5)15-12-7-2/h18-19H,6-17H2,1-5H3
InChIKeyZXHLGQVRYKTEHM-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.05
Rot. Bonds14

About N,N-bis(2-ethylhexyl)butanamide

N,N-bis(2-ethylhexyl)butanamide (PubChem CID 533363) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)butanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)butanamide
PubChem CID533363
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN,N-bis(2-ethylhexyl)butanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC
InChIInChI=1S/C20H41NO/c1-6-11-14-18(9-4)16-21(20(22)13-8-3)17-19(10-5)15-12-7-2/h18-19H,6-17H2,1-5H3
InChIKeyZXHLGQVRYKTEHM-UHFFFAOYSA-N
XLogP6.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)butanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)butanamide (CID 533363) is N,N-bis(2-ethylhexyl)butanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)butanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)butanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC.
What is the InChIKey of N,N-bis(2-ethylhexyl)butanamide?
The InChIKey is ZXHLGQVRYKTEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-6-11-14-18(9-4)16-21(20(22)13-8-3)17-19(10-5)15-12-7-2/h18-19H,6-17H2,1-5H3.
What are the key properties of N,N-bis(2-ethylhexyl)butanamide?
N,N-bis(2-ethylhexyl)butanamide has a molecular weight of 311.55 g/mol, XLogP of 6.05, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)butanamide is sourced from PubChem (CID 533363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).