2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide

C23H31N3O3 — CID 113164764

IUPAC2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(CCc2cccc(OC)c2)C(C)=O)cc1
InChIInChI=1S/C23H31N3O3/c1-5-25(6-2)21-12-10-20(11-13-21)24-23(28)17-26(18(3)27)15-14-19-8-7-9-22(16-19)29-4/h7-13,16H,5-6,14-15,17H2,1-4H3,(H,24,28)
InChIKeyGWLZKJZAFCJLOB-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.57
Rot. Bonds10

About 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide

2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 113164764) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
PubChem CID113164764
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(CCc2cccc(OC)c2)C(C)=O)cc1
InChIInChI=1S/C23H31N3O3/c1-5-25(6-2)21-12-10-20(11-13-21)24-23(28)17-26(18(3)27)15-14-19-8-7-9-22(16-19)29-4/h7-13,16H,5-6,14-15,17H2,1-4H3,(H,24,28)
InChIKeyGWLZKJZAFCJLOB-UHFFFAOYSA-N
XLogP3.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000949
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164445
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
CID 113164636
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164779
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113164905

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide (CID 113164764) is 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CN(CCc2cccc(OC)c2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is GWLZKJZAFCJLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-25(6-2)21-12-10-20(11-13-21)24-23(28)17-26(18(3)27)15-14-19-8-7-9-22(16-19)29-4/h7-13,16H,5-6,14-15,17H2,1-4H3,(H,24,28).
What are the key properties of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide?
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 113164764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).