1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide

C16H20N2O2 — CID 54039627

IUPAC1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
SMILESCC=CCNC(=O)c1ccc(C(=O)NCC=CC)cc1
InChIInChI=1S/C16H20N2O2/c1-3-5-11-17-15(19)13-7-9-14(10-8-13)16(20)18-12-6-4-2/h3-10H,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLLKQRWCYKKITRN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds6

About 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide (PubChem CID 54039627) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
PubChem CID54039627
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
SMILESCC=CCNC(=O)c1ccc(C(=O)NCC=CC)cc1
InChIInChI=1S/C16H20N2O2/c1-3-5-11-17-15(19)13-7-9-14(10-8-13)16(20)18-12-6-4-2/h3-10H,11-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLLKQRWCYKKITRN-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
CID 178010444
N-[(E)-but-2-enyl]naphthalene-2-carboxamide
CID 59644417
N-[(E)-but-2-enyl]-6-methylpyridine-3-carboxamide;ethane
CID 178011431
N-[(E)-but-2-enyl]-3-methylbenzamide
CID 178010009
N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane
CID 178011179
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
N-[(E)-but-2-enyl]pyrimidine-2-carboxamide;ethane
CID 178010523
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
CID 175163770
4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
CID 118669128
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide (CID 54039627) is 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide is CC=CCNC(=O)c1ccc(C(=O)NCC=CC)cc1.
What is the InChIKey of 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide?
The InChIKey is LLKQRWCYKKITRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-5-11-17-15(19)13-7-9-14(10-8-13)16(20)18-12-6-4-2/h3-10H,11-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 54039627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).