methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate

C19H19NO4 — CID 95983100

IUPACmethyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1
InChIInChI=1S/C19H19NO4/c1-24-18(22)15-8-6-14(7-9-15)17(21)20-12-19(23)11-10-13-4-2-3-5-16(13)19/h2-9,23H,10-12H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyJAQDWMCNRSIERZ-IBGZPJMESA-N
MW325.36 g/mol
LogP2.04
Rot. Bonds4

About methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate

methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate (PubChem CID 95983100) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
PubChem CID95983100
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1
InChIInChI=1S/C19H19NO4/c1-24-18(22)15-8-6-14(7-9-15)17(21)20-12-19(23)11-10-13-4-2-3-5-16(13)19/h2-9,23H,10-12H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyJAQDWMCNRSIERZ-IBGZPJMESA-N
XLogP2.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methylsulfamoyl]benzoate
CID 95986142
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide
CID 91624538
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294558
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea
CID 75387842
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate (CID 95983100) is methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1.
What is the InChIKey of methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate?
The InChIKey is JAQDWMCNRSIERZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-18(22)15-8-6-14(7-9-15)17(21)20-12-19(23)11-10-13-4-2-3-5-16(13)19/h2-9,23H,10-12H2,1H3,(H,20,21)/t19-/m0/s1.
What are the key properties of methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate?
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate has a molecular weight of 325.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate is sourced from PubChem (CID 95983100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).