N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide

C14H20N2O — CID 114014543

IUPACN-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide
SMILESC=CC(C)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O/c1-4-12(3)15-9-10-16-14(17)13-7-5-11(2)6-8-13/h4-8,12,15H,1,9-10H2,2-3H3,(H,16,17)
InChIKeyWSFFLAFXBBZTJB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide

N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide (PubChem CID 114014543) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide
PubChem CID114014543
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide
SMILESC=CC(C)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O/c1-4-12(3)15-9-10-16-14(17)13-7-5-11(2)6-8-13/h4-8,12,15H,1,9-10H2,2-3H3,(H,16,17)
InChIKeyWSFFLAFXBBZTJB-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.89
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

N-[2-(1-cyanopropan-2-ylamino)ethyl]-4-methylbenzamide
CID 54880724
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
methyl 2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]butanoate
CID 79396559
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide
CID 60966154
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
CID 62854007
N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
CID 64920352
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610

Frequently Asked Questions

What is the IUPAC name of N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide (CID 114014543) is N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide is C=CC(C)NCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide?
The InChIKey is WSFFLAFXBBZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-12(3)15-9-10-16-14(17)13-7-5-11(2)6-8-13/h4-8,12,15H,1,9-10H2,2-3H3,(H,16,17).
What are the key properties of N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide?
N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 114014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).