N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

C22H31N3O5 — CID 8593390

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)Cc1ccco1
InChIInChI=1S/C22H31N3O5/c1-4-28-20-14-19(25-8-11-27-12-9-25)21(29-5-2)13-18(20)23-22(26)16-24(3)15-17-7-6-10-30-17/h6-7,10,13-14H,4-5,8-9,11-12,15-16H2,1-3H3,(H,23,26)
InChIKeyOFYCIQBEUPSRDO-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.98
Rot. Bonds10

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (PubChem CID 8593390) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
PubChem CID8593390
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)Cc1ccco1
InChIInChI=1S/C22H31N3O5/c1-4-28-20-14-19(25-8-11-27-12-9-25)21(29-5-2)13-18(20)23-22(26)16-24(3)15-17-7-6-10-30-17/h6-7,10,13-14H,4-5,8-9,11-12,15-16H2,1-3H3,(H,23,26)
InChIKeyOFYCIQBEUPSRDO-UHFFFAOYSA-N
XLogP2.98
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 55628481
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 46630394
N-(2-ethoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 26381318
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3447844
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (CID 8593390) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)Cc1ccco1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The InChIKey is OFYCIQBEUPSRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-4-28-20-14-19(25-8-11-27-12-9-25)21(29-5-2)13-18(20)23-22(26)16-24(3)15-17-7-6-10-30-17/h6-7,10,13-14H,4-5,8-9,11-12,15-16H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 8593390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).