tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid

C24H29N3O5 — CID 86698427

IUPACtert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid
SMILESCC1(C)COc2cccc(Oc3ccc(NC(=O)C4(N(C(=O)O)C(C)(C)C)CC4)cn3)c21
InChIInChI=1S/C24H29N3O5/c1-22(2,3)27(21(29)30)24(11-12-24)20(28)26-15-9-10-18(25-13-15)32-17-8-6-7-16-19(17)23(4,5)14-31-16/h6-10,13H,11-12,14H2,1-5H3,(H,26,28)(H,29,30)
InChIKeyQDMKHSURZCTOCF-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.79
Rot. Bonds5

About tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid

tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid (PubChem CID 86698427) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid
PubChem CID86698427
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nametert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid
SMILESCC1(C)COc2cccc(Oc3ccc(NC(=O)C4(N(C(=O)O)C(C)(C)C)CC4)cn3)c21
InChIInChI=1S/C24H29N3O5/c1-22(2,3)27(21(29)30)24(11-12-24)20(28)26-15-9-10-18(25-13-15)32-17-8-6-7-16-19(17)23(4,5)14-31-16/h6-10,13H,11-12,14H2,1-5H3,(H,26,28)(H,29,30)
InChIKeyQDMKHSURZCTOCF-UHFFFAOYSA-N
XLogP4.79
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid with MolForge

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Related Compounds

N-tert-butyl-N-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 86698428
tert-butyl N-[2-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]carbamate
CID 123535881
N-tert-butyl-N-[1-[[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]cyclopropyl]carbamate
CID 131746325
phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate
CID 118028968
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide
CID 77440308
5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 166804417
2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine
CID 67958523
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine
CID 167462490
N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100779083
iron;1-methyl-3-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyrazole-3,4-diamine
CID 175845402

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid?
The IUPAC name of tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid (CID 86698427) is tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid is CC1(C)COc2cccc(Oc3ccc(NC(=O)C4(N(C(=O)O)C(C)(C)C)CC4)cn3)c21.
What is the InChIKey of tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid?
The InChIKey is QDMKHSURZCTOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-22(2,3)27(21(29)30)24(11-12-24)20(28)26-15-9-10-18(25-13-15)32-17-8-6-7-16-19(17)23(4,5)14-31-16/h6-10,13H,11-12,14H2,1-5H3,(H,26,28)(H,29,30).
What are the key properties of tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid?
tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid has a molecular weight of 439.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 86698427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).