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

C16H23N3O2 — CID 3491712

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)NCCN(C)C)cc2oc(C)cc21
InChIInChI=1S/C16H23N3O2/c1-11(2)10-19-13-8-12(3)21-15(13)9-14(19)16(20)17-6-7-18(4)5/h8-9H,1,6-7,10H2,2-5H3,(H,17,20)
InChIKeyLVOZSOCROJSWML-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 3491712) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID3491712
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)NCCN(C)C)cc2oc(C)cc21
InChIInChI=1S/C16H23N3O2/c1-11(2)10-19-13-8-12(3)21-15(13)9-14(19)16(20)17-6-7-18(4)5/h8-9H,1,6-7,10H2,2-5H3,(H,17,20)
InChIKeyLVOZSOCROJSWML-UHFFFAOYSA-N
XLogP2.41
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7112861
N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791246
4-(cyclobutylmethyl)-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7361911
4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42792526
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
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 110702158
4-[(E)-but-2-enyl]-N-[2-(dimethylamino)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848688
4-[(2,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 7416009
N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791222
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride
CID 56953810

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide (CID 3491712) is N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide is C=C(C)Cn1c(C(=O)NCCN(C)C)cc2oc(C)cc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LVOZSOCROJSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)10-19-13-8-12(3)21-15(13)9-14(19)16(20)17-6-7-18(4)5/h8-9H,1,6-7,10H2,2-5H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3491712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).