6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide

C21H25N3O3 — CID 42797133

IUPAC6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
SMILESCc1ccccc1Cn1c(C(=O)NCCN2CCOCC2)cc2ccoc21
InChIInChI=1S/C21H25N3O3/c1-16-4-2-3-5-18(16)15-24-19(14-17-6-11-27-21(17)24)20(25)22-7-8-23-9-12-26-13-10-23/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,22,25)
InChIKeyIFZMVCCEVWSMNW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.65
Rot. Bonds6

About 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide

6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide (PubChem CID 42797133) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
PubChem CID42797133
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
SMILESCc1ccccc1Cn1c(C(=O)NCCN2CCOCC2)cc2ccoc21
InChIInChI=1S/C21H25N3O3/c1-16-4-2-3-5-18(16)15-24-19(14-17-6-11-27-21(17)24)20(25)22-7-8-23-9-12-26-13-10-23/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,22,25)
InChIKeyIFZMVCCEVWSMNW-UHFFFAOYSA-N
XLogP2.65
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 7235057
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 46134442
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791148
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide (CID 42797133) is 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide is Cc1ccccc1Cn1c(C(=O)NCCN2CCOCC2)cc2ccoc21.
What is the InChIKey of 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide?
The InChIKey is IFZMVCCEVWSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-4-2-3-5-18(16)15-24-19(14-17-6-11-27-21(17)24)20(25)22-7-8-23-9-12-26-13-10-23/h2-6,11,14H,7-10,12-13,15H2,1H3,(H,22,25).
What are the key properties of 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide?
6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42797133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).