N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide

C23H27ClN2O5 — CID 46059766

IUPACN-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)N1CCOC(CN(C(=O)c2ccco2)C2CCCC2)C1
InChIInChI=1S/C23H27ClN2O5/c24-17-7-9-19(10-8-17)31-16-22(27)25-11-13-29-20(14-25)15-26(18-4-1-2-5-18)23(28)21-6-3-12-30-21/h3,6-10,12,18,20H,1-2,4-5,11,13-16H2
InChIKeyUFRCTRWOUFRULH-UHFFFAOYSA-N
MW446.93 g/mol
LogP3.62
Rot. Bonds7

About N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide

N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide (PubChem CID 46059766) has the molecular formula C23H27ClN2O5 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
PubChem CID46059766
Molecular FormulaC23H27ClN2O5
Molecular Weight446.93 g/mol
Exact Mass446.16
IUPAC NameN-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)N1CCOC(CN(C(=O)c2ccco2)C2CCCC2)C1
InChIInChI=1S/C23H27ClN2O5/c24-17-7-9-19(10-8-17)31-16-22(27)25-11-13-29-20(14-25)15-26(18-4-1-2-5-18)23(28)21-6-3-12-30-21/h3,6-10,12,18,20H,1-2,4-5,11,13-16H2
InChIKeyUFRCTRWOUFRULH-UHFFFAOYSA-N
XLogP3.62
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990179
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92988251
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
N-cyclopentyl-N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862547
2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 110442714
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
CID 24731871

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide?
The IUPAC name of N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide (CID 46059766) is N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide?
The canonical SMILES for N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide is O=C(COc1ccc(Cl)cc1)N1CCOC(CN(C(=O)c2ccco2)C2CCCC2)C1.
What is the InChIKey of N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide?
The InChIKey is UFRCTRWOUFRULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5/c24-17-7-9-19(10-8-17)31-16-22(27)25-11-13-29-20(14-25)15-26(18-4-1-2-5-18)23(28)21-6-3-12-30-21/h3,6-10,12,18,20H,1-2,4-5,11,13-16H2.
What are the key properties of N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide?
N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide has a molecular weight of 446.93 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide is sourced from PubChem (CID 46059766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).