methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate

C17H21NO5 — CID 95308053

IUPACmethyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(C)C(=O)c1oc2c(OC)cccc2c1C
InChIInChI=1S/C17H21NO5/c1-10(17(20)22-5)9-18(3)16(19)14-11(2)12-7-6-8-13(21-4)15(12)23-14/h6-8,10H,9H2,1-5H3/t10-/m1/s1
InChIKeyQQGVIBSEAAOVJF-SNVBAGLBSA-N
MW319.36 g/mol
LogP2.63
Rot. Bonds5

About methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate

methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate (PubChem CID 95308053) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate
PubChem CID95308053
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namemethyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(C)C(=O)c1oc2c(OC)cccc2c1C
InChIInChI=1S/C17H21NO5/c1-10(17(20)22-5)9-18(3)16(19)14-11(2)12-7-6-8-13(21-4)15(12)23-14/h6-8,10H,9H2,1-5H3/t10-/m1/s1
InChIKeyQQGVIBSEAAOVJF-SNVBAGLBSA-N
XLogP2.63
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate 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

methyl (3S)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]butanoate
CID 95597118
methyl 2-methyl-3-[methyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 55008207
3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110000692
methyl 3-hydroxy-7-methoxy-1-benzofuran-2-carboxylate
CID 54676990
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 43017176
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 109388515
7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate (CID 95308053) is methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate is COC(=O)[C@H](C)CN(C)C(=O)c1oc2c(OC)cccc2c1C.
What is the InChIKey of methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is QQGVIBSEAAOVJF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21NO5/c1-10(17(20)22-5)9-18(3)16(19)14-11(2)12-7-6-8-13(21-4)15(12)23-14/h6-8,10H,9H2,1-5H3/t10-/m1/s1.
What are the key properties of methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate?
methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 319.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 95308053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).