N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide

C20H22N2O3 — CID 88724802

IUPACN-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide
SMILESC=CCN(c1cccc(NC(C)=O)c1)C(C=O)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-3-12-22(19-11-7-10-18(13-19)21-16(2)24)20(14-23)25-15-17-8-5-4-6-9-17/h3-11,13-14,20H,1,12,15H2,2H3,(H,21,24)
InChIKeyISGAMWZSKKPGRM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.38
Rot. Bonds9

About N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide

N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide (PubChem CID 88724802) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide
PubChem CID88724802
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide
SMILESC=CCN(c1cccc(NC(C)=O)c1)C(C=O)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-3-12-22(19-11-7-10-18(13-19)21-16(2)24)20(14-23)25-15-17-8-5-4-6-9-17/h3-11,13-14,20H,1,12,15H2,2H3,(H,21,24)
InChIKeyISGAMWZSKKPGRM-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide (CID 88724802) is N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide is C=CCN(c1cccc(NC(C)=O)c1)C(C=O)OCc1ccccc1.
What is the InChIKey of N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide?
The InChIKey is ISGAMWZSKKPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-12-22(19-11-7-10-18(13-19)21-16(2)24)20(14-23)25-15-17-8-5-4-6-9-17/h3-11,13-14,20H,1,12,15H2,2H3,(H,21,24).
What are the key properties of N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide?
N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide is sourced from PubChem (CID 88724802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).