methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate

C16H16N2O4 — CID 95979627

IUPACmethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C16H16N2O4/c1-9-7-11(14(17-9)16(20)21-2)18-15(19)13-8-10-5-3-4-6-12(10)22-13/h3-7,13,17H,8H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyVSDHCQXNXRXSCL-CYBMUJFWSA-N
MW300.31 g/mol
LogP2.05
Rot. Bonds3

About methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate

methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate (PubChem CID 95979627) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
PubChem CID95979627
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C16H16N2O4/c1-9-7-11(14(17-9)16(20)21-2)18-15(19)13-8-10-5-3-4-6-12(10)22-13/h3-7,13,17H,8H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyVSDHCQXNXRXSCL-CYBMUJFWSA-N
XLogP2.05
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate 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

(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate
CID 24659375
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(2-amino-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107697069
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate
CID 175366135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate (CID 95979627) is methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1Cc2ccccc2O1.
What is the InChIKey of methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is VSDHCQXNXRXSCL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-7-11(14(17-9)16(20)21-2)18-15(19)13-8-10-5-3-4-6-12(10)22-13/h3-7,13,17H,8H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate?
methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 95979627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).