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

C24H30N3O5- — CID 86698428

IUPACN-tert-butyl-N-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC1(C)COc2cccc(Oc3ccc(NC(=O)C(C)(C)N(C(=O)[O-])C(C)(C)C)cn3)c21
InChIInChI=1S/C24H31N3O5/c1-22(2,3)27(21(29)30)24(6,7)20(28)26-15-11-12-18(25-13-15)32-17-10-8-9-16-19(17)23(4,5)14-31-16/h8-13H,14H2,1-7H3,(H,26,28)(H,29,30)/p-1
InChIKeyCONYUUZLPAECKK-UHFFFAOYSA-M
MW440.52 g/mol
LogP3.70
Rot. Bonds5

About 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

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 (PubChem CID 86698428) has the molecular formula C24H30N3O5- and a molecular weight of 440.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-tert-butyl-N-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID86698428
Molecular FormulaC24H30N3O5-
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-tert-butyl-N-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC1(C)COc2cccc(Oc3ccc(NC(=O)C(C)(C)N(C(=O)[O-])C(C)(C)C)cn3)c21
InChIInChI=1S/C24H31N3O5/c1-22(2,3)27(21(29)30)24(6,7)20(28)26-15-11-12-18(25-13-15)32-17-10-8-9-16-19(17)23(4,5)14-31-16/h8-13H,14H2,1-7H3,(H,26,28)(H,29,30)/p-1
InChIKeyCONYUUZLPAECKK-UHFFFAOYSA-M
XLogP3.70
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid
CID 86698427
tert-butyl N-[2-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]amino]-2-oxoethyl]carbamate
CID 123535881
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
phenyl N-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamate
CID 118028968
2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide
CID 77440308
2-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-amine
CID 67958523
tert-butyl N-[(2R)-2-methyl-1-[[6-[(3-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 86698444
5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 166804417
N-tert-butyl-N-[(2R)-1-oxo-1-[[6-[(3-propan-2-yl-1,2-benzoxazol-4-yl)oxy]-3-pyridinyl]amino]butan-2-yl]carbamate
CID 86698420
N-tert-butyl-N-[(2R)-1-[[6-(5-methoxy-2-methylphenoxy)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
CID 86673590
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
1-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-5-methyl-3-pyridinyl]-5-methyl-3H-pyrrol-2-one
CID 158865661

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)COc2cccc(Oc3ccc(NC(=O)C(C)(C)N(C(=O)[O-])C(C)(C)C)cn3)c21.
What is the InChIKey of 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?
The InChIKey is CONYUUZLPAECKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H31N3O5/c1-22(2,3)27(21(29)30)24(6,7)20(28)26-15-11-12-18(25-13-15)32-17-10-8-9-16-19(17)23(4,5)14-31-16/h8-13H,14H2,1-7H3,(H,26,28)(H,29,30)/p-1.
What are the key properties of 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?
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 has a molecular weight of 440.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 86698428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).