N-butyl-2-(prop-2-enylamino)benzamide

C14H20N2O — CID 71540981

IUPACN-butyl-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccccc1C(=O)NCCCC
InChIInChI=1S/C14H20N2O/c1-3-5-11-16-14(17)12-8-6-7-9-13(12)15-10-4-2/h4,6-9,15H,2-3,5,10-11H2,1H3,(H,16,17)
InChIKeyULZACASVIQQGSW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.81
Rot. Bonds7

About N-butyl-2-(prop-2-enylamino)benzamide

N-butyl-2-(prop-2-enylamino)benzamide (PubChem CID 71540981) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-butyl-2-(prop-2-enylamino)benzamide.

Molecular Properties

Compound NameN-butyl-2-(prop-2-enylamino)benzamide
PubChem CID71540981
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-butyl-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccccc1C(=O)NCCCC
InChIInChI=1S/C14H20N2O/c1-3-5-11-16-14(17)12-8-6-7-9-13(12)15-10-4-2/h4,6-9,15H,2-3,5,10-11H2,1H3,(H,16,17)
InChIKeyULZACASVIQQGSW-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)-N-butylbenzamide
CID 86102037
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
CID 50977313
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434
1-(pentylcarbamoyl)-2-(sulfinoamino)benzene
CID 70015794

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(prop-2-enylamino)benzamide?
The IUPAC name of N-butyl-2-(prop-2-enylamino)benzamide (CID 71540981) is N-butyl-2-(prop-2-enylamino)benzamide.
What is the SMILES notation for N-butyl-2-(prop-2-enylamino)benzamide?
The canonical SMILES for N-butyl-2-(prop-2-enylamino)benzamide is C=CCNc1ccccc1C(=O)NCCCC.
What is the InChIKey of N-butyl-2-(prop-2-enylamino)benzamide?
The InChIKey is ULZACASVIQQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-5-11-16-14(17)12-8-6-7-9-13(12)15-10-4-2/h4,6-9,15H,2-3,5,10-11H2,1H3,(H,16,17).
What are the key properties of N-butyl-2-(prop-2-enylamino)benzamide?
N-butyl-2-(prop-2-enylamino)benzamide has a molecular weight of 232.33 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(prop-2-enylamino)benzamide is sourced from PubChem (CID 71540981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).