N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide

C22H28N2O3 — CID 7499190

IUPACN-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCCCCCCNC(=O)c1cc2oc(C)cc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-4-5-6-7-12-23-22(25)20-14-21-19(13-16(2)27-21)24(20)15-17-8-10-18(26-3)11-9-17/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,23,25)
InChIKeyUZPYTDPBQVNFDI-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.91
Rot. Bonds9

About N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide

N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 7499190) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID7499190
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCCCCCCNC(=O)c1cc2oc(C)cc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O3/c1-4-5-6-7-12-23-22(25)20-14-21-19(13-16(2)27-21)24(20)15-17-8-10-18(26-3)11-9-17/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,23,25)
InChIKeyUZPYTDPBQVNFDI-UHFFFAOYSA-N
XLogP4.91
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792724
2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228
N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791246
4-[(3,5-dimethoxyphenyl)methyl]-N-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42792536
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791492
4-methoxy-N-pentylbenzamide
CID 3113360

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 7499190) is N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide is CCCCCCNC(=O)c1cc2oc(C)cc2n1Cc1ccc(OC)cc1.
What is the InChIKey of N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UZPYTDPBQVNFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-5-6-7-12-23-22(25)20-14-21-19(13-16(2)27-21)24(20)15-17-8-10-18(26-3)11-9-17/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,23,25).
What are the key properties of N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide?
N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7499190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).