methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate

C16H21NO4 — CID 49159358

IUPACmethyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc2c(c1)COC2)C(=O)OC
InChIInChI=1S/C16H21NO4/c1-4-7-16(2,15(19)20-3)17-14(18)11-5-6-12-9-21-10-13(12)8-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyZSFUMDRRXUXZLD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.18
Rot. Bonds5

About methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate

methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate (PubChem CID 49159358) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
PubChem CID49159358
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc2c(c1)COC2)C(=O)OC
InChIInChI=1S/C16H21NO4/c1-4-7-16(2,15(19)20-3)17-14(18)11-5-6-12-9-21-10-13(12)8-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyZSFUMDRRXUXZLD-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 62401437
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261387
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate
CID 55670323

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate?
The IUPAC name of methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate (CID 49159358) is methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate?
The canonical SMILES for methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc2c(c1)COC2)C(=O)OC.
What is the InChIKey of methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate?
The InChIKey is ZSFUMDRRXUXZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-7-16(2,15(19)20-3)17-14(18)11-5-6-12-9-21-10-13(12)8-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate?
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate has a molecular weight of 291.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate is sourced from PubChem (CID 49159358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).