N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide

C20H22N2O3 — CID 167917675

IUPACN-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
SMILESC/C=C/CNC(=O)C(NC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-3-4-14-21-20(24)18(15-8-6-5-7-9-15)22-19(23)16-10-12-17(25-2)13-11-16/h3-13,18H,14H2,1-2H3,(H,21,24)(H,22,23)/b4-3+
InChIKeyWKSQOEPRXGZJRO-ONEGZZNKSA-N
MW338.41 g/mol
LogP2.86
Rot. Bonds7

About N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide

N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide (PubChem CID 167917675) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
PubChem CID167917675
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
SMILESC/C=C/CNC(=O)C(NC(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-3-4-14-21-20(24)18(15-8-6-5-7-9-15)22-19(23)16-10-12-17(25-2)13-11-16/h3-13,18H,14H2,1-2H3,(H,21,24)(H,22,23)/b4-3+
InChIKeyWKSQOEPRXGZJRO-ONEGZZNKSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.86
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

4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
CID 119170708
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
CID 178010444
(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
CID 119364694
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide (CID 167917675) is N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide is C/C=C/CNC(=O)C(NC(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide?
The InChIKey is WKSQOEPRXGZJRO-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-4-14-21-20(24)18(15-8-6-5-7-9-15)22-19(23)16-10-12-17(25-2)13-11-16/h3-13,18H,14H2,1-2H3,(H,21,24)(H,22,23)/b4-3+.
What are the key properties of N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide?
N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide is sourced from PubChem (CID 167917675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).