2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide

C22H29N3O3 — CID 38120268

IUPAC2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
SMILESCCN(CC(=O)NCCCc1ccccc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C22H29N3O3/c1-3-25(17-22(27)24-19-13-7-8-14-20(19)28-2)16-21(26)23-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14H,3,9,12,15-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBPYUGVQNKOXKDG-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.70
Rot. Bonds11

About 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide

2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide (PubChem CID 38120268) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
PubChem CID38120268
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
SMILESCCN(CC(=O)NCCCc1ccccc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C22H29N3O3/c1-3-25(17-22(27)24-19-13-7-8-14-20(19)28-2)16-21(26)23-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14H,3,9,12,15-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBPYUGVQNKOXKDG-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
N-ethyl-3-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 51184271

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide (CID 38120268) is 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide is CCN(CC(=O)NCCCc1ccccc1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is BPYUGVQNKOXKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-25(17-22(27)24-19-13-7-8-14-20(19)28-2)16-21(26)23-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14H,3,9,12,15-17H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide?
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.70, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 38120268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).