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

C21H30N2O5 — CID 84565814

IUPAC3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C21H30N2O5/c1-27-18-4-2-3-5-19(18)28-14-21(26)23(16-8-9-16)13-12-20(25)22-15-6-10-17(24)11-7-15/h2-5,15-17,24H,6-14H2,1H3,(H,22,25)
InChIKeyQRGJBQVUEOPZGA-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.87
Rot. Bonds9

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

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 84565814) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
PubChem CID84565814
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C21H30N2O5/c1-27-18-4-2-3-5-19(18)28-14-21(26)23(16-8-9-16)13-12-20(25)22-15-6-10-17(24)11-7-15/h2-5,15-17,24H,6-14H2,1H3,(H,22,25)
InChIKeyQRGJBQVUEOPZGA-UHFFFAOYSA-N
XLogP1.87
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
CID 84565799
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84565965
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84561909
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 84564048
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 84566682

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide (CID 84565814) is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide is COc1ccccc1OCC(=O)N(CCC(=O)NC1CCC(O)CC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is QRGJBQVUEOPZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-27-18-4-2-3-5-19(18)28-14-21(26)23(16-8-9-16)13-12-20(25)22-15-6-10-17(24)11-7-15/h2-5,15-17,24H,6-14H2,1H3,(H,22,25).
What are the key properties of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide?
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 390.48 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 84565814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).