N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide

C18H20N2O2 — CID 4013751

IUPACN-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNC(C(=O)Nc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-3-12-19-17(14-8-5-4-6-9-14)18(21)20-15-10-7-11-16(13-15)22-2/h3-11,13,17,19H,1,12H2,2H3,(H,20,21)
InChIKeyNWNRFGCOCUQLSZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.15
Rot. Bonds7

About N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide

N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide (PubChem CID 4013751) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
PubChem CID4013751
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNC(C(=O)Nc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-3-12-19-17(14-8-5-4-6-9-14)18(21)20-15-10-7-11-16(13-15)22-2/h3-11,13,17,19H,1,12H2,2H3,(H,20,21)
InChIKeyNWNRFGCOCUQLSZ-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide (CID 4013751) is N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide is C=CCNC(C(=O)Nc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
The InChIKey is NWNRFGCOCUQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-19-17(14-8-5-4-6-9-14)18(21)20-15-10-7-11-16(13-15)22-2/h3-11,13,17,19H,1,12H2,2H3,(H,20,21).
What are the key properties of N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide?
N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-phenyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 4013751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).