4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide

C18H25NO2 — CID 78784427

IUPAC4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-5-12-19(13-6-2)18(20)16-7-9-17(10-8-16)21-14-11-15(3)4/h5-10,15H,1-2,11-14H2,3-4H3
InChIKeyIIRFYABWLTUYAU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.93
Rot. Bonds9

About 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide

4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 78784427) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide
PubChem CID78784427
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-5-12-19(13-6-2)18(20)16-7-9-17(10-8-16)21-14-11-15(3)4/h5-10,15H,1-2,11-14H2,3-4H3
InChIKeyIIRFYABWLTUYAU-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
CID 119583468
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247
3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17351650
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
CID 4030783
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
3-[(4-fluorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82324895
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide (CID 78784427) is 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is IIRFYABWLTUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-12-19(13-6-2)18(20)16-7-9-17(10-8-16)21-14-11-15(3)4/h5-10,15H,1-2,11-14H2,3-4H3.
What are the key properties of 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide?
4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 287.40 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 78784427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).