2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide

C18H20N2O2 — CID 54826667

IUPAC2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-11-19-18(21)13-20-16-9-6-10-17(12-16)22-14-15-7-4-3-5-8-15/h2-10,12,20H,1,11,13-14H2,(H,19,21)
InChIKeyZCTLKSYEQSQFPV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.98
Rot. Bonds8

About 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide

2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide (PubChem CID 54826667) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
PubChem CID54826667
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-11-19-18(21)13-20-16-9-6-10-17(12-16)22-14-15-7-4-3-5-8-15/h2-10,12,20H,1,11,13-14H2,(H,19,21)
InChIKeyZCTLKSYEQSQFPV-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826305
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536
N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
CID 54839094
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54842423
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide (CID 54826667) is 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CNc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide?
The InChIKey is ZCTLKSYEQSQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-11-19-18(21)13-20-16-9-6-10-17(12-16)22-14-15-7-4-3-5-8-15/h2-10,12,20H,1,11,13-14H2,(H,19,21).
What are the key properties of 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide?
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide has a molecular weight of 296.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 54826667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).