4-amino-N-benzyl-3-prop-2-enoxybenzamide

C17H18N2O2 — CID 82069770

IUPAC4-amino-N-benzyl-3-prop-2-enoxybenzamide
SMILESC=CCOc1cc(C(=O)NCc2ccccc2)ccc1N
InChIInChI=1S/C17H18N2O2/c1-2-10-21-16-11-14(8-9-15(16)18)17(20)19-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12,18H2,(H,19,20)
InChIKeyLBHSNKBRDLAZRI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.76
Rot. Bonds6

About 4-amino-N-benzyl-3-prop-2-enoxybenzamide

4-amino-N-benzyl-3-prop-2-enoxybenzamide (PubChem CID 82069770) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-N-benzyl-3-prop-2-enoxybenzamide.

Molecular Properties

Compound Name4-amino-N-benzyl-3-prop-2-enoxybenzamide
PubChem CID82069770
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-amino-N-benzyl-3-prop-2-enoxybenzamide
SMILESC=CCOc1cc(C(=O)NCc2ccccc2)ccc1N
InChIInChI=1S/C17H18N2O2/c1-2-10-21-16-11-14(8-9-15(16)18)17(20)19-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12,18H2,(H,19,20)
InChIKeyLBHSNKBRDLAZRI-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
CID 82069780
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
N-benzyl-3,4-difluorobenzamide
CID 1294460
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54843914
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-3-prop-2-enoxybenzamide?
The IUPAC name of 4-amino-N-benzyl-3-prop-2-enoxybenzamide (CID 82069770) is 4-amino-N-benzyl-3-prop-2-enoxybenzamide.
What is the SMILES notation for 4-amino-N-benzyl-3-prop-2-enoxybenzamide?
The canonical SMILES for 4-amino-N-benzyl-3-prop-2-enoxybenzamide is C=CCOc1cc(C(=O)NCc2ccccc2)ccc1N.
What is the InChIKey of 4-amino-N-benzyl-3-prop-2-enoxybenzamide?
The InChIKey is LBHSNKBRDLAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-10-21-16-11-14(8-9-15(16)18)17(20)19-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12,18H2,(H,19,20).
What are the key properties of 4-amino-N-benzyl-3-prop-2-enoxybenzamide?
4-amino-N-benzyl-3-prop-2-enoxybenzamide has a molecular weight of 282.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-3-prop-2-enoxybenzamide is sourced from PubChem (CID 82069770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).