tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate

C24H29NO4 — CID 146224075

IUPACtert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(COc1ccc(-c2cc3ccccc3o2)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H29NO4/c1-16(2)20(25-23(26)29-24(3,4)5)15-27-19-12-10-17(11-13-19)22-14-18-8-6-7-9-21(18)28-22/h6-14,16,20H,15H2,1-5H3,(H,25,26)
InChIKeyMHXAYILWVHTBSR-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.03
Rot. Bonds6

About tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate

tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate (PubChem CID 146224075) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate
PubChem CID146224075
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Nametert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(COc1ccc(-c2cc3ccccc3o2)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H29NO4/c1-16(2)20(25-23(26)29-24(3,4)5)15-27-19-12-10-17(11-13-19)22-14-18-8-6-7-9-21(18)28-22/h6-14,16,20H,15H2,1-5H3,(H,25,26)
InChIKeyMHXAYILWVHTBSR-UHFFFAOYSA-N
XLogP6.03
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
CID 16663835
tert-butyl N-[1-[[(2S)-1-(1-benzofuran-2-carbonylamino)-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 91397570
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
(2R)-3-[[4-[[(2S,3S)-1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylpentan-2-yl]amino]phenyl]methylamino]-2-hydroxypropanoic acid
CID 151834711
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yloxypropanoate
CID 118862766
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
5-[4-[[(2S)-1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]-ethylamino]phenyl]-5-oxopentanoic acid
CID 159475007
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate
CID 11327979
tert-butyl N-[(2R,3R)-3-hydroxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-yl]carbamate
CID 140666734

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate (CID 146224075) is tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate is CC(C)C(COc1ccc(-c2cc3ccccc3o2)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate?
The InChIKey is MHXAYILWVHTBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-16(2)20(25-23(26)29-24(3,4)5)15-27-19-12-10-17(11-13-19)22-14-18-8-6-7-9-21(18)28-22/h6-14,16,20H,15H2,1-5H3,(H,25,26).
What are the key properties of tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 146224075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).