N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide

C21H24N2O3 — CID 167935153

IUPACN-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NCC(OCC)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-4-20(24)23(3)18-13-11-17(12-14-18)21(25)22-15-19(26-5-2)16-9-7-6-8-10-16/h4,6-14,19H,1,5,15H2,2-3H3,(H,22,25)
InChIKeyQRSHZVRJNJBPGA-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.34
Rot. Bonds8

About N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide

N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 167935153) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID167935153
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NCC(OCC)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-4-20(24)23(3)18-13-11-17(12-14-18)21(25)22-15-19(26-5-2)16-9-7-6-8-10-16/h4,6-14,19H,1,5,15H2,2-3H3,(H,22,25)
InChIKeyQRSHZVRJNJBPGA-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414212
N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414086
N-[(2S)-2-ethoxy-2-phenylethyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 124859057
3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
CID 122012065
4-[methyl(prop-2-enoyl)amino]-N-[3-(oxan-2-yl)prop-2-ynyl]benzamide
CID 167804608
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414099
(2S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxypropanoic acid
CID 107833075
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-[methyl(prop-2-enoyl)amino]-N-(1-phenyltriazol-4-yl)benzamide
CID 166413727
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide (CID 167935153) is N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)NCC(OCC)c2ccccc2)cc1.
What is the InChIKey of N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is QRSHZVRJNJBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-20(24)23(3)18-13-11-17(12-14-18)21(25)22-15-19(26-5-2)16-9-7-6-8-10-16/h4,6-14,19H,1,5,15H2,2-3H3,(H,22,25).
What are the key properties of N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide?
N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-phenylethyl)-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 167935153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).