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

C15H24N2O4 — CID 62525074

IUPACtert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
SMILESCc1ccc(CNC(=O)CCCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H24N2O4/c1-11-7-8-12(20-11)10-17-13(18)6-5-9-16-14(19)21-15(2,3)4/h7-8H,5-6,9-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPMJJBJLLCIBMTA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.51
Rot. Bonds6

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

tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate (PubChem CID 62525074) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
PubChem CID62525074
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
SMILESCc1ccc(CNC(=O)CCCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H24N2O4/c1-11-7-8-12(20-11)10-17-13(18)6-5-9-16-14(19)21-15(2,3)4/h7-8H,5-6,9-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyPMJJBJLLCIBMTA-UHFFFAOYSA-N
XLogP2.51
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutyl]carbamate
CID 55590483
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
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3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
tert-butyl N-[4-oxo-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butyl]carbamate
CID 55527464
tert-butyl N-[[4-[2-[4-(ethoxycarbonylamino)butanoylamino]ethyl]phenyl]methyl]carbamate
CID 163196886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate (CID 62525074) is tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate is Cc1ccc(CNC(=O)CCCNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate?
The InChIKey is PMJJBJLLCIBMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-7-8-12(20-11)10-17-13(18)6-5-9-16-14(19)21-15(2,3)4/h7-8H,5-6,9-10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate?
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.51, 6 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]-4-oxobutyl]carbamate is sourced from PubChem (CID 62525074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).