2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide

C22H28N2O4 — CID 52783393

IUPAC2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESC=CCN(CCc1ccccc1)CC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-5-12-24(13-11-17-9-7-6-8-10-17)16-21(25)23-18-14-19(26-2)22(28-4)20(15-18)27-3/h5-10,14-15H,1,11-13,16H2,2-4H3,(H,23,25)
InChIKeyVYIMLSIIOHTKJP-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.38
Rot. Bonds11

About 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 52783393) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID52783393
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESC=CCN(CCc1ccccc1)CC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-5-12-24(13-11-17-9-7-6-8-10-17)16-21(25)23-18-14-19(26-2)22(28-4)20(15-18)27-3/h5-10,14-15H,1,11-13,16H2,2-4H3,(H,23,25)
InChIKeyVYIMLSIIOHTKJP-UHFFFAOYSA-N
XLogP3.38
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
3-[[2-(2-methoxyanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326650
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[ethyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 31993751
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108985137
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 52783393) is 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is C=CCN(CCc1ccccc1)CC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VYIMLSIIOHTKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-12-24(13-11-17-9-7-6-8-10-17)16-21(25)23-18-14-19(26-2)22(28-4)20(15-18)27-3/h5-10,14-15H,1,11-13,16H2,2-4H3,(H,23,25).
What are the key properties of 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 52783393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).