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

C23H28N2O4 — CID 7301804

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)N(C)CCc2ccc(OC)c(OC)c2)cc2oc(C)cc21
InChIInChI=1S/C23H28N2O4/c1-15(2)14-25-18-11-16(3)29-21(18)13-19(25)23(26)24(4)10-9-17-7-8-20(27-5)22(12-17)28-6/h7-8,11-13H,1,9-10,14H2,2-6H3
InChIKeyNJQAGCZZUQJNAS-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.45
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 7301804) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID7301804
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)N(C)CCc2ccc(OC)c(OC)c2)cc2oc(C)cc21
InChIInChI=1S/C23H28N2O4/c1-15(2)14-25-18-11-16(3)29-21(18)13-19(25)23(26)24(4)10-9-17-7-8-20(27-5)22(12-17)28-6/h7-8,11-13H,1,9-10,14H2,2-6H3
InChIKeyNJQAGCZZUQJNAS-UHFFFAOYSA-N
XLogP4.45
TPSA56.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791115
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 26587128
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 14237547
N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792724
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26826334
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810
N-benzyl-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154568
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 9085023
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 69472007
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 9468468
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide (CID 7301804) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide is C=C(C)Cn1c(C(=O)N(C)CCc2ccc(OC)c(OC)c2)cc2oc(C)cc21.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is NJQAGCZZUQJNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(2)14-25-18-11-16(3)29-21(18)13-19(25)23(26)24(4)10-9-17-7-8-20(27-5)22(12-17)28-6/h7-8,11-13H,1,9-10,14H2,2-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7301804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).