diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium

C25H36N3O2+ — CID 7112877

IUPACdiethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2oc(C)cc2n1Cc1ccc(C)cc1
InChIInChI=1S/C25H35N3O2/c1-6-27(7-2)14-8-9-19(4)26-25(29)23-16-24-22(15-20(5)30-24)28(23)17-21-12-10-18(3)11-13-21/h10-13,15-16,19H,6-9,14,17H2,1-5H3,(H,26,29)/p+1/t19-/m0/s1
InChIKeyCRGKEACGWLEPQX-IBGZPJMESA-O
MW410.58 g/mol
LogP3.72
Rot. Bonds10

About diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium

diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium (PubChem CID 7112877) has the molecular formula C25H36N3O2+ and a molecular weight of 410.58 g/mol. Its IUPAC name is diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium.

Molecular Properties

Compound Namediethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium
PubChem CID7112877
Molecular FormulaC25H36N3O2+
Molecular Weight410.58 g/mol
Exact Mass410.28
IUPAC Namediethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2oc(C)cc2n1Cc1ccc(C)cc1
InChIInChI=1S/C25H35N3O2/c1-6-27(7-2)14-8-9-19(4)26-25(29)23-16-24-22(15-20(5)30-24)28(23)17-21-12-10-18(3)11-13-21/h10-13,15-16,19H,6-9,14,17H2,1-5H3,(H,26,29)/p+1/t19-/m0/s1
InChIKeyCRGKEACGWLEPQX-IBGZPJMESA-O
XLogP3.72
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium with MolForge

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Related Compounds

diethyl-[(4S)-4-[[2-methyl-4-[(3-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium
CID 7112976
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228
diethyl-[(4R)-4-[[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]pentyl]azanium
CID 7413313
diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
CID 2374163
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791222
[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
CID 7620129
methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769582
2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 7112861
3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067237
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174

Frequently Asked Questions

What is the IUPAC name of diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium?
The IUPAC name of diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium (CID 7112877) is diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium.
What is the SMILES notation for diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium?
The canonical SMILES for diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium is CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2oc(C)cc2n1Cc1ccc(C)cc1.
What is the InChIKey of diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium?
The InChIKey is CRGKEACGWLEPQX-IBGZPJMESA-O. The full InChI is InChI=1S/C25H35N3O2/c1-6-27(7-2)14-8-9-19(4)26-25(29)23-16-24-22(15-20(5)30-24)28(23)17-21-12-10-18(3)11-13-21/h10-13,15-16,19H,6-9,14,17H2,1-5H3,(H,26,29)/p+1/t19-/m0/s1.
What are the key properties of diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium?
diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium has a molecular weight of 410.58 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4S)-4-[[2-methyl-4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]pentyl]azanium is sourced from PubChem (CID 7112877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).