N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide

C14H18N2O2 — CID 59903019

IUPACN-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
SMILESC=C(C)C(=O)NCc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C14H18N2O2/c1-4-15-14(18)12-7-5-11(6-8-12)9-16-13(17)10(2)3/h5-8H,2,4,9H2,1,3H3,(H,15,18)(H,16,17)
InChIKeyLAQIOMCYRKNVOV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.63
Rot. Bonds5

About N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide

N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide (PubChem CID 59903019) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
PubChem CID59903019
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
SMILESC=C(C)C(=O)NCc1ccc(C(=O)NCC)cc1
InChIInChI=1S/C14H18N2O2/c1-4-15-14(18)12-7-5-11(6-8-12)9-16-13(17)10(2)3/h5-8H,2,4,9H2,1,3H3,(H,15,18)(H,16,17)
InChIKeyLAQIOMCYRKNVOV-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.63
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

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N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
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N-benzyl-2-methylprop-2-enamide;hydrazine
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N-ethyl-4-prop-2-enylbenzamide
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CID 86990026
N-ethyl-4-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111243370
N-ethyl-4-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide?
The IUPAC name of N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide (CID 59903019) is N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide?
The canonical SMILES for N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide is C=C(C)C(=O)NCc1ccc(C(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide?
The InChIKey is LAQIOMCYRKNVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-15-14(18)12-7-5-11(6-8-12)9-16-13(17)10(2)3/h5-8H,2,4,9H2,1,3H3,(H,15,18)(H,16,17).
What are the key properties of N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide?
N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 59903019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).