tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate

C17H30N2O3 — CID 107254271

IUPACtert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
SMILESCc1ccc(C(C)NC(CNC(=O)OC(C)(C)C)C(C)C)o1
InChIInChI=1S/C17H30N2O3/c1-11(2)14(10-18-16(20)22-17(5,6)7)19-13(4)15-9-8-12(3)21-15/h8-9,11,13-14,19H,10H2,1-7H3,(H,18,20)
InChIKeyGDGITALKMHMVFP-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.79
Rot. Bonds6

About tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate

tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate (PubChem CID 107254271) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
PubChem CID107254271
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
SMILESCc1ccc(C(C)NC(CNC(=O)OC(C)(C)C)C(C)C)o1
InChIInChI=1S/C17H30N2O3/c1-11(2)14(10-18-16(20)22-17(5,6)7)19-13(4)15-9-8-12(3)21-15/h8-9,11,13-14,19H,10H2,1-7H3,(H,18,20)
InChIKeyGDGITALKMHMVFP-UHFFFAOYSA-N
XLogP3.79
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
CID 103785992
tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate
CID 107253936
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate
CID 107254289
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 107240310
tert-butyl N-[3-methyl-2-[(3-methylfuran-2-yl)methylamino]butyl]carbamate
CID 107254248
tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
CID 107093722
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
2-(5-methylfuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 116860991
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate (CID 107254271) is tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate is Cc1ccc(C(C)NC(CNC(=O)OC(C)(C)C)C(C)C)o1.
What is the InChIKey of tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate?
The InChIKey is GDGITALKMHMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-11(2)14(10-18-16(20)22-17(5,6)7)19-13(4)15-9-8-12(3)21-15/h8-9,11,13-14,19H,10H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate?
tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate is sourced from PubChem (CID 107254271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).