N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide

C14H20N2O — CID 43601289

IUPACN-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
SMILESCCNCc1cccc(NC(=O)C=C(C)C)c1
InChIInChI=1S/C14H20N2O/c1-4-15-10-12-6-5-7-13(9-12)16-14(17)8-11(2)3/h5-9,15H,4,10H2,1-3H3,(H,16,17)
InChIKeyBNAPWLHOEQYIJX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.70
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide

N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide (PubChem CID 43601289) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
PubChem CID43601289
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
SMILESCCNCc1cccc(NC(=O)C=C(C)C)c1
InChIInChI=1S/C14H20N2O/c1-4-15-10-12-6-5-7-13(9-12)16-14(17)8-11(2)3/h5-9,15H,4,10H2,1-3H3,(H,16,17)
InChIKeyBNAPWLHOEQYIJX-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]but-2-enamide
CID 108934722
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
(E)-3,4,4-trimethyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934750
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
N-(3-butylphenyl)-3-methoxybut-2-enamide
CID 54048877

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide (CID 43601289) is N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide is CCNCc1cccc(NC(=O)C=C(C)C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide?
The InChIKey is BNAPWLHOEQYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-15-10-12-6-5-7-13(9-12)16-14(17)8-11(2)3/h5-9,15H,4,10H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide?
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 43601289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).