tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate

C22H30N2O4 — CID 10293533

IUPACtert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate
SMILESCC(C)CCNC(=O)c1ccoc1-c1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O4/c1-15(2)10-12-23-20(25)18-11-13-27-19(18)17-9-7-6-8-16(17)14-24-21(26)28-22(3,4)5/h6-9,11,13,15H,10,12,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyDSTJTVHNLYVVEJ-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.75
Rot. Bonds7

About tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate

tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate (PubChem CID 10293533) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate
PubChem CID10293533
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Nametert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate
SMILESCC(C)CCNC(=O)c1ccoc1-c1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O4/c1-15(2)10-12-23-20(25)18-11-13-27-19(18)17-9-7-6-8-16(17)14-24-21(26)28-22(3,4)5/h6-9,11,13,15H,10,12,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyDSTJTVHNLYVVEJ-UHFFFAOYSA-N
XLogP4.75
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
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tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
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tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
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lithium 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
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2-(aminomethyl)aniline;tert-butyl N-[(2-aminophenyl)methyl]carbamate
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tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
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tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
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N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate (CID 10293533) is tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate is CC(C)CCNC(=O)c1ccoc1-c1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate?
The InChIKey is DSTJTVHNLYVVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-15(2)10-12-23-20(25)18-11-13-27-19(18)17-9-7-6-8-16(17)14-24-21(26)28-22(3,4)5/h6-9,11,13,15H,10,12,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate?
tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate has a molecular weight of 386.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 10293533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).