N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide

C17H21NO3 — CID 99833499

IUPACN-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
SMILESCc1c([C@H](C)NC(=O)C2CCOCC2)oc2ccccc12
InChIInChI=1S/C17H21NO3/c1-11-14-5-3-4-6-15(14)21-16(11)12(2)18-17(19)13-7-9-20-10-8-13/h3-6,12-13H,7-10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYQFMHAGNQULHHF-LBPRGKRZSA-N
MW287.36 g/mol
LogP3.35
Rot. Bonds3

About N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide

N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 99833499) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
PubChem CID99833499
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
SMILESCc1c([C@H](C)NC(=O)C2CCOCC2)oc2ccccc12
InChIInChI=1S/C17H21NO3/c1-11-14-5-3-4-6-15(14)21-16(11)12(2)18-17(19)13-7-9-20-10-8-13/h3-6,12-13H,7-10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYQFMHAGNQULHHF-LBPRGKRZSA-N
XLogP3.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
2-[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120701736
N-methyl-4-[1-(3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 166532094
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidine-3-carboxamide
CID 52517437
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532648
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532576
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyloxan-4-yl)urea
CID 166533084
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 166532520
1-(4-methoxyoxolan-3-yl)-3-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532863

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide (CID 99833499) is N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide is Cc1c([C@H](C)NC(=O)C2CCOCC2)oc2ccccc12.
What is the InChIKey of N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is YQFMHAGNQULHHF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-14-5-3-4-6-15(14)21-16(11)12(2)18-17(19)13-7-9-20-10-8-13/h3-6,12-13H,7-10H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide?
N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 99833499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).