tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate

C17H22N2O4 — CID 59722487

IUPACtert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCc1ccc2occc2c1
InChIInChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)18-8-6-15(20)19-11-12-4-5-14-13(10-12)7-9-22-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySHMIIZUDVKWVPM-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.96
Rot. Bonds5

About tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate

tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate (PubChem CID 59722487) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate
PubChem CID59722487
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nametert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCc1ccc2occc2c1
InChIInChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)18-8-6-15(20)19-11-12-4-5-14-13(10-12)7-9-22-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySHMIIZUDVKWVPM-UHFFFAOYSA-N
XLogP2.96
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-5-ylmethanamine;1-bromo-2-methylpropane;tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylmethyl(2-methylpropyl)amino]-3-oxopropyl]-N-(2-methylpropyl)carbamate;3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 160929443
(2S)-3-(1-benzofuran-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15481925
tert-butyl N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]carbamate
CID 9209944
tert-butyl N-[3-[(4-carbamoylphenyl)methylamino]-3-oxopropyl]carbamate
CID 46564397
tert-butyl N-[3-[[4-(ethoxymethyl)phenyl]methylamino]-3-oxopropyl]carbamate
CID 37358112
tert-butyl N-[3-[[4-(hydroxycarbamoyl)phenyl]methylamino]-3-oxopropyl]carbamate
CID 122143651
diethyl-[[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]methyl]phenyl]methyl]azanium
CID 8948657
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate
CID 67258307
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
tert-butyl N-[3-oxo-3-[(4-thiomorpholin-4-ylphenyl)methylamino]propyl]carbamate
CID 47059291
tert-butyl N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 32586659

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate (CID 59722487) is tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NCc1ccc2occc2c1.
What is the InChIKey of tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate?
The InChIKey is SHMIIZUDVKWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)18-8-6-15(20)19-11-12-4-5-14-13(10-12)7-9-22-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate has a molecular weight of 318.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-benzofuran-5-ylmethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 59722487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).