tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate

C18H24N2O3 — CID 107240310

IUPACtert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
SMILESCc1ccc(C(C)Nc2ccccc2NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H24N2O3/c1-12-10-11-16(22-12)13(2)19-14-8-6-7-9-15(14)20-17(21)23-18(3,4)5/h6-11,13,19H,1-5H3,(H,20,21)
InChIKeyGRJAPZCRHTWPRA-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.11
Rot. Bonds4

About tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate

tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate (PubChem CID 107240310) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
PubChem CID107240310
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
SMILESCc1ccc(C(C)Nc2ccccc2NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H24N2O3/c1-12-10-11-16(22-12)13(2)19-14-8-6-7-9-15(14)20-17(21)23-18(3,4)5/h6-11,13,19H,1-5H3,(H,20,21)
InChIKeyGRJAPZCRHTWPRA-UHFFFAOYSA-N
XLogP5.11
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
CID 107240279
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
CID 107254271
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 60942225
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
CID 107240144
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate (CID 107240310) is tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate is Cc1ccc(C(C)Nc2ccccc2NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
The InChIKey is GRJAPZCRHTWPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-10-11-16(22-12)13(2)19-14-8-6-7-9-15(14)20-17(21)23-18(3,4)5/h6-11,13,19H,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 107240310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).