2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide

C23H30N2O4 — CID 113165331

IUPAC2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(CCc1ccc(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C23H30N2O4/c1-5-24(16-20-9-7-6-8-10-20)23(27)17-25(18(2)26)14-13-19-11-12-21(28-3)22(15-19)29-4/h6-12,15H,5,13-14,16-17H2,1-4H3
InChIKeyIUQFJLXQFRRUDM-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.14
Rot. Bonds10

About 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide

2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide (PubChem CID 113165331) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
PubChem CID113165331
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(CCc1ccc(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C23H30N2O4/c1-5-24(16-20-9-7-6-8-10-20)23(27)17-25(18(2)26)14-13-19-11-12-21(28-3)22(15-19)29-4/h6-12,15H,5,13-14,16-17H2,1-4H3
InChIKeyIUQFJLXQFRRUDM-UHFFFAOYSA-N
XLogP3.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
CID 108998963
2-[acetyl(butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3358509
3-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]benzoyl]-[2-(3-ethoxy-4-methoxyphenyl)ethyl]amino]propanoic acid
CID 69426104
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
CID 42702423
2-[acetyl(2-phenylethyl)amino]-N,N-dipropylacetamide
CID 113164026
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
2-[benzylcarbamoyl(propyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3933760
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide (CID 113165331) is 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN(CCc1ccc(OC)c(OC)c1)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide?
The InChIKey is IUQFJLXQFRRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-24(16-20-9-7-6-8-10-20)23(27)17-25(18(2)26)14-13-19-11-12-21(28-3)22(15-19)29-4/h6-12,15H,5,13-14,16-17H2,1-4H3.
What are the key properties of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide?
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide has a molecular weight of 398.50 g/mol, XLogP of 3.14, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 113165331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).