N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide

C19H22N2O2 — CID 54826305

IUPACN-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(NCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-2-13-23-18-10-6-9-17(14-18)21-15-19(22)20-12-11-16-7-4-3-5-8-16/h2-10,14,21H,1,11-13,15H2,(H,20,22)
InChIKeyQQKKGFNZUPIVLJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds9

About N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide

N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide (PubChem CID 54826305) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide
PubChem CID54826305
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(NCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-2-13-23-18-10-6-9-17(14-18)21-15-19(22)20-12-11-16-7-4-3-5-8-16/h2-10,14,21H,1,11-13,15H2,(H,20,22)
InChIKeyQQKKGFNZUPIVLJ-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
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

1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54828312
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
2-(naphthalen-2-ylamino)-N-(2-phenylethyl)acetamide
CID 26417168
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
2-[3-(2-phenoxyethoxy)anilino]-N-propylacetamide
CID 54825848
N-ethyl-2-(3-phenylmethoxyanilino)acetamide
CID 54826259

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide (CID 54826305) is N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide is C=CCOc1cccc(NCC(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide?
The InChIKey is QQKKGFNZUPIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-13-23-18-10-6-9-17(14-18)21-15-19(22)20-12-11-16-7-4-3-5-8-16/h2-10,14,21H,1,11-13,15H2,(H,20,22).
What are the key properties of N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide?
N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54826305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).