2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

C24H39N3O4 — CID 3447844

IUPAC2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(CC)C1CCCCC1
InChIInChI=1S/C24H39N3O4/c1-4-26(19-10-8-7-9-11-19)18-24(28)25-20-16-23(31-6-3)21(17-22(20)30-5-2)27-12-14-29-15-13-27/h16-17,19H,4-15,18H2,1-3H3,(H,25,28)
InChIKeyZMEGNEXAMAMEIZ-UHFFFAOYSA-N
MW433.59 g/mol
LogP3.91
Rot. Bonds10

About 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide

2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (PubChem CID 3447844) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
PubChem CID3447844
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Name2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(CC)C1CCCCC1
InChIInChI=1S/C24H39N3O4/c1-4-26(19-10-8-7-9-11-19)18-24(28)25-20-16-23(31-6-3)21(17-22(20)30-5-2)27-12-14-29-15-13-27/h16-17,19H,4-15,18H2,1-3H3,(H,25,28)
InChIKeyZMEGNEXAMAMEIZ-UHFFFAOYSA-N
XLogP3.91
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.91
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

cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
CID 8875582
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7738305
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8593390
ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
(2S)-2-(azepan-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 9323693
(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40974407

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide (CID 3447844) is 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(CC)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZMEGNEXAMAMEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-4-26(19-10-8-7-9-11-19)18-24(28)25-20-16-23(31-6-3)21(17-22(20)30-5-2)27-12-14-29-15-13-27/h16-17,19H,4-15,18H2,1-3H3,(H,25,28).
What are the key properties of 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide?
2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 433.59 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3447844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).