N,N-bis(2-ethylhexyl)formamide

C17H35NO — CID 18982711

IUPACN,N-bis(2-ethylhexyl)formamide
SMILESCCCCC(CC)CN(C=O)CC(CC)CCCC
InChIInChI=1S/C17H35NO/c1-5-9-11-16(7-3)13-18(15-19)14-17(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
InChIKeyNJRHNQQJFQCODE-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.88
Rot. Bonds13

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

N,N-bis(2-ethylhexyl)formamide (PubChem CID 18982711) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)formamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)formamide
PubChem CID18982711
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,N-bis(2-ethylhexyl)formamide
SMILESCCCCC(CC)CN(C=O)CC(CC)CCCC
InChIInChI=1S/C17H35NO/c1-5-9-11-16(7-3)13-18(15-19)14-17(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
InChIKeyNJRHNQQJFQCODE-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)formamide?
The IUPAC name of N,N-bis(2-ethylhexyl)formamide (CID 18982711) is N,N-bis(2-ethylhexyl)formamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)formamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)formamide is CCCCC(CC)CN(C=O)CC(CC)CCCC.
What is the InChIKey of N,N-bis(2-ethylhexyl)formamide?
The InChIKey is NJRHNQQJFQCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-9-11-16(7-3)13-18(15-19)14-17(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)formamide?
N,N-bis(2-ethylhexyl)formamide has a molecular weight of 269.47 g/mol, XLogP of 4.88, 13 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)formamide is sourced from PubChem (CID 18982711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).