3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

C25H31N3O5 — CID 84566682

IUPAC3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C25H31N3O5/c1-31-22-4-2-3-5-23(22)33-18-25(30)28(21-10-11-21)13-12-24(29)26-19-6-8-20(9-7-19)27-14-16-32-17-15-27/h2-9,21H,10-18H2,1H3,(H,26,29)
InChIKeyZRJXUZAXVABMQC-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.93
Rot. Bonds10

About 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 84566682) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID84566682
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C25H31N3O5/c1-31-22-4-2-3-5-23(22)33-18-25(30)28(21-10-11-21)13-12-24(29)26-19-6-8-20(9-7-19)27-14-16-32-17-15-27/h2-9,21H,10-18H2,1H3,(H,26,29)
InChIKeyZRJXUZAXVABMQC-UHFFFAOYSA-N
XLogP2.93
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84565965
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84566672
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 84566682) is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is COc1ccccc1OCC(=O)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is ZRJXUZAXVABMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-31-22-4-2-3-5-23(22)33-18-25(30)28(21-10-11-21)13-12-24(29)26-19-6-8-20(9-7-19)27-14-16-32-17-15-27/h2-9,21H,10-18H2,1H3,(H,26,29).
What are the key properties of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 453.54 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 84566682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).