3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide

C22H34N2O4 — CID 2998948

IUPAC3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1CCCC1
InChIInChI=1S/C22H34N2O4/c1-3-27-20-16-19(24-11-13-26-14-12-24)21(28-4-2)15-18(20)23-22(25)10-9-17-7-5-6-8-17/h15-17H,3-14H2,1-2H3,(H,23,25)
InChIKeySBEMZRLREWVPIA-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.23
Rot. Bonds9

About 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide

3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide (PubChem CID 2998948) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
PubChem CID2998948
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1CCCC1
InChIInChI=1S/C22H34N2O4/c1-3-27-20-16-19(24-11-13-26-14-12-24)21(28-4-2)15-18(20)23-22(25)10-9-17-7-5-6-8-17/h15-17H,3-14H2,1-2H3,(H,23,25)
InChIKeySBEMZRLREWVPIA-UHFFFAOYSA-N
XLogP4.23
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide (CID 2998948) is 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide?
The InChIKey is SBEMZRLREWVPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-3-27-20-16-19(24-11-13-26-14-12-24)21(28-4-2)15-18(20)23-22(25)10-9-17-7-5-6-8-17/h15-17H,3-14H2,1-2H3,(H,23,25).
What are the key properties of 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide?
3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide has a molecular weight of 390.52 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2998948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).