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

C17H22N2O3 — CID 107240074

IUPACtert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
SMILESCc1ccc(CNc2ccccc2NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H22N2O3/c1-12-9-10-13(21-12)11-18-14-7-5-6-8-15(14)19-16(20)22-17(2,3)4/h5-10,18H,11H2,1-4H3,(H,19,20)
InChIKeyMOAVQKJWKSQCRP-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.55
Rot. Bonds4

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

tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate (PubChem CID 107240074) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
PubChem CID107240074
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
SMILESCc1ccc(CNc2ccccc2NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H22N2O3/c1-12-9-10-13(21-12)11-18-14-7-5-6-8-15(14)19-16(20)22-17(2,3)4/h5-10,18H,11H2,1-4H3,(H,19,20)
InChIKeyMOAVQKJWKSQCRP-UHFFFAOYSA-N
XLogP4.55
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
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tert-butyl N-[4-fluoro-2-[(5-iodofuran-2-yl)methylamino]phenyl]carbamate
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tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
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tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
CID 62525074
tert-butyl N-[2-[(3-bromothiophen-2-yl)methylamino]phenyl]carbamate
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tert-butyl N-(2-hydroxyphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate (CID 107240074) is tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate is Cc1ccc(CNc2ccccc2NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
The InChIKey is MOAVQKJWKSQCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-9-10-13(21-12)11-18-14-7-5-6-8-15(14)19-16(20)22-17(2,3)4/h5-10,18H,11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate has a molecular weight of 302.37 g/mol, XLogP of 4.55, 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-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 107240074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).