N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide

C18H26N2O2 — CID 42792724

IUPACN-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)NCCCCCC)cc2oc(C)cc21
InChIInChI=1S/C18H26N2O2/c1-5-6-7-8-9-19-18(21)16-11-17-15(10-14(4)22-17)20(16)12-13(2)3/h10-11H,2,5-9,12H2,1,3-4H3,(H,19,21)
InChIKeyHIIBVCUJPKVDEG-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.43
Rot. Bonds8

About N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide

N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42792724) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42792724
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)NCCCCCC)cc2oc(C)cc21
InChIInChI=1S/C18H26N2O2/c1-5-6-7-8-9-19-18(21)16-11-17-15(10-14(4)22-17)20(16)12-13(2)3/h10-11H,2,5-9,12H2,1,3-4H3,(H,19,21)
InChIKeyHIIBVCUJPKVDEG-UHFFFAOYSA-N
XLogP4.43
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3491712
N-hexyl-4-[(4-methoxyphenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 7499190
2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7112861
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7301804
N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791246
N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 42759616
N,4-dibutylfuro[3,2-b]pyrrole-5-carboxamide
CID 3637931
ethyl 4-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 3229403
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42792724) is N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide is C=C(C)Cn1c(C(=O)NCCCCCC)cc2oc(C)cc21.
What is the InChIKey of N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HIIBVCUJPKVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-6-7-8-9-19-18(21)16-11-17-15(10-14(4)22-17)20(16)12-13(2)3/h10-11H,2,5-9,12H2,1,3-4H3,(H,19,21).
What are the key properties of N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42792724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).