tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate

C18H25NO3 — CID 16663835

IUPACtert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO3/c1-12(2)10-14(19-17(20)22-18(3,4)5)16-11-13-8-6-7-9-15(13)21-16/h6-9,11-12,14H,10H2,1-5H3,(H,19,20)/t14-/m0/s1
InChIKeyAFLMEAONCLPLKM-AWEZNQCLSA-N
MW303.40 g/mol
LogP5.04
Rot. Bonds4

About tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate

tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate (PubChem CID 16663835) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
PubChem CID16663835
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)c1cc2ccccc2o1
InChIInChI=1S/C18H25NO3/c1-12(2)10-14(19-17(20)22-18(3,4)5)16-11-13-8-6-7-9-15(13)21-16/h6-9,11-12,14H,10H2,1-5H3,(H,19,20)/t14-/m0/s1
InChIKeyAFLMEAONCLPLKM-AWEZNQCLSA-N
XLogP5.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]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-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
tert-butyl 2-[1-(1-benzofuran-2-yl)-3-methylbutyl]pyrrole-1-carboxylate
CID 71740402
tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate
CID 146224075
tert-butyl N-[(1S)-1-(2-fluoro-4-pyridinyl)-3-methylbutyl]carbamate
CID 146165264
tert-butyl N-[1-[[(2S)-1-(1-benzofuran-2-carbonylamino)-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 91397570
(3R)-3-acetamido-3-(1-benzofuran-2-yl)propanoic acid
CID 78953838
tert-butyl N-[(1S)-1-(4-benzyl-5-oxo-4H-1,3-oxazol-2-yl)-3-methylbutyl]carbamate
CID 11100491
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
CID 139227792
tert-butyl N-[(2S)-4-methyl-1-oxo-1-[(2-oxo-3-phenylchromen-7-yl)amino]pentan-2-yl]carbamate
CID 22823403
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate (CID 16663835) is tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)c1cc2ccccc2o1.
What is the InChIKey of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate?
The InChIKey is AFLMEAONCLPLKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)10-14(19-17(20)22-18(3,4)5)16-11-13-8-6-7-9-15(13)21-16/h6-9,11-12,14H,10H2,1-5H3,(H,19,20)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate?
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate has a molecular weight of 303.40 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate is sourced from PubChem (CID 16663835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).