2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium

C22H30N3O2+ — CID 7417311

IUPAC2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1cc2occc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)17-8-6-16(7-9-17)15-25-18-10-13-27-20(18)14-19(25)21(26)23-11-12-24(4)5/h6-10,13-14H,11-12,15H2,1-5H3,(H,23,26)/p+1
InChIKeyZNMQCVCQESGMQT-UHFFFAOYSA-O
MW368.50 g/mol
LogP2.45
Rot. Bonds6

About 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium

2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium (PubChem CID 7417311) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium
PubChem CID7417311
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1cc2occc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)17-8-6-16(7-9-17)15-25-18-10-13-27-20(18)14-19(25)21(26)23-11-12-24(4)5/h6-10,13-14H,11-12,15H2,1-5H3,(H,23,26)/p+1
InChIKeyZNMQCVCQESGMQT-UHFFFAOYSA-O
XLogP2.45
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium with MolForge

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Related Compounds

4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42792526
N,4-dibutylfuro[3,2-b]pyrrole-5-carboxamide
CID 3637931
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039009
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
2-bromo-4-[(4-tert-butylphenyl)methyl]-N-[2-(dimethylamino)ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040015
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 4651741
2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228
N-(1,1-dioxothiolan-3-yl)-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 75768863
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium (CID 7417311) is 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)c1cc2occc2n1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium?
The InChIKey is ZNMQCVCQESGMQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)17-8-6-16(7-9-17)15-25-18-10-13-27-20(18)14-19(25)21(26)23-11-12-24(4)5/h6-10,13-14H,11-12,15H2,1-5H3,(H,23,26)/p+1.
What are the key properties of 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium?
2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium has a molecular weight of 368.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7417311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).