tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate

C17H26N2O4 — CID 107250839

IUPACtert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1COc2cc(O)ccc21
InChIInChI=1S/C17H26N2O4/c1-5-11(9-18-16(21)23-17(2,3)4)19-14-10-22-15-8-12(20)6-7-13(14)15/h6-8,11,14,19-20H,5,9-10H2,1-4H3,(H,18,21)
InChIKeyWPCAUCBSJAVCLV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate

tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate (PubChem CID 107250839) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate
PubChem CID107250839
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1COc2cc(O)ccc21
InChIInChI=1S/C17H26N2O4/c1-5-11(9-18-16(21)23-17(2,3)4)19-14-10-22-15-8-12(20)6-7-13(14)15/h6-8,11,14,19-20H,5,9-10H2,1-4H3,(H,18,21)
InChIKeyWPCAUCBSJAVCLV-UHFFFAOYSA-N
XLogP2.72
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]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

tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]propyl]carbamate
CID 107248143
tert-butyl N-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butan-2-yl]carbamate
CID 107246919
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
CID 107251370
tert-butyl N-[2-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]carbamate
CID 115615306
3-(1-methylsulfonylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64630825
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
tert-butyl N-[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbamate
CID 134129728
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 60931257
tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate
CID 107248561
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate
CID 107251219
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate (CID 107250839) is tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC1COc2cc(O)ccc21.
What is the InChIKey of tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate?
The InChIKey is WPCAUCBSJAVCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-11(9-18-16(21)23-17(2,3)4)19-14-10-22-15-8-12(20)6-7-13(14)15/h6-8,11,14,19-20H,5,9-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate?
tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate is sourced from PubChem (CID 107250839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).