N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide

C14H26N2O2 — CID 23452232

IUPACN-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide
SMILESC=C(C(=O)N(CC)CC)C(C)C(=O)NCCCC
InChIInChI=1S/C14H26N2O2/c1-6-9-10-15-13(17)11(4)12(5)14(18)16(7-2)8-3/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyCZSYWOVSHVXCRF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.96
Rot. Bonds8

About N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide

N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide (PubChem CID 23452232) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide.

Molecular Properties

Compound NameN-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide
PubChem CID23452232
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide
SMILESC=C(C(=O)N(CC)CC)C(C)C(=O)NCCCC
InChIInChI=1S/C14H26N2O2/c1-6-9-10-15-13(17)11(4)12(5)14(18)16(7-2)8-3/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyCZSYWOVSHVXCRF-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide?
The IUPAC name of N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide (CID 23452232) is N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide.
What is the SMILES notation for N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide?
The canonical SMILES for N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide is C=C(C(=O)N(CC)CC)C(C)C(=O)NCCCC.
What is the InChIKey of N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide?
The InChIKey is CZSYWOVSHVXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-9-10-15-13(17)11(4)12(5)14(18)16(7-2)8-3/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide?
N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide has a molecular weight of 254.37 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide is sourced from PubChem (CID 23452232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).