5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C26H37N3O4 — CID 3353343

IUPAC5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCOc1cccc(CN(Cc2ccc(C(=O)NCCN3CCOCC3)o2)C2CCCCC2)c1
InChIInChI=1S/C26H37N3O4/c1-31-23-9-5-6-21(18-23)19-29(22-7-3-2-4-8-22)20-24-10-11-25(33-24)26(30)27-12-13-28-14-16-32-17-15-28/h5-6,9-11,18,22H,2-4,7-8,12-17,19-20H2,1H3,(H,27,30)
InChIKeyQLTQAXZNASZVHJ-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.69
Rot. Bonds10

About 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 3353343) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID3353343
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCOc1cccc(CN(Cc2ccc(C(=O)NCCN3CCOCC3)o2)C2CCCCC2)c1
InChIInChI=1S/C26H37N3O4/c1-31-23-9-5-6-21(18-23)19-29(22-7-3-2-4-8-22)20-24-10-11-25(33-24)26(30)27-12-13-28-14-16-32-17-15-28/h5-6,9-11,18,22H,2-4,7-8,12-17,19-20H2,1H3,(H,27,30)
InChIKeyQLTQAXZNASZVHJ-UHFFFAOYSA-N
XLogP3.69
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 5203089
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133842
3-cyclohexyl-1-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3572608
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5174076
5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 3916484
3-methoxy-2-[(3-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 146497389
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 3273528
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784
4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58784359

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 3353343) is 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is COc1cccc(CN(Cc2ccc(C(=O)NCCN3CCOCC3)o2)C2CCCCC2)c1.
What is the InChIKey of 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is QLTQAXZNASZVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-31-23-9-5-6-21(18-23)19-29(22-7-3-2-4-8-22)20-24-10-11-25(33-24)26(30)27-12-13-28-14-16-32-17-15-28/h5-6,9-11,18,22H,2-4,7-8,12-17,19-20H2,1H3,(H,27,30).
What are the key properties of 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 3353343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).