tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate

C17H22N2O3 — CID 103818453

IUPACtert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
SMILESCc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)o1
InChIInChI=1S/C17H22N2O3/c1-12-5-10-15(21-12)11-18-13-6-8-14(9-7-13)19-16(20)22-17(2,3)4/h5-10,18H,11H2,1-4H3,(H,19,20)
InChIKeyOPKLEBCSKOEERS-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate

tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate (PubChem CID 103818453) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
PubChem CID103818453
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
SMILESCc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)o1
InChIInChI=1S/C17H22N2O3/c1-12-5-10-15(21-12)11-18-13-6-8-14(9-7-13)19-16(20)22-17(2,3)4/h5-10,18H,11H2,1-4H3,(H,19,20)
InChIKeyOPKLEBCSKOEERS-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-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
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2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
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tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
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tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
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4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
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N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
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tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
CID 103818455

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate (CID 103818453) is tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate is Cc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)o1.
What is the InChIKey of tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
The InChIKey is OPKLEBCSKOEERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-5-10-15(21-12)11-18-13-6-8-14(9-7-13)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-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate?
tert-butyl N-[4-[(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-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 103818453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).