methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate

C19H19NO4 — CID 67088132

IUPACmethyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC2NC(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO4/c1-23-18(21)15-7-9-16-14(11-15)8-10-17(16)20-19(22)24-12-13-5-3-2-4-6-13/h2-7,9,11,17H,8,10,12H2,1H3,(H,20,22)
InChIKeyOYUVMDWORPMJBT-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.39
Rot. Bonds4

About methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate

methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 67088132) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID67088132
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC2NC(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO4/c1-23-18(21)15-7-9-16-14(11-15)8-10-17(16)20-19(22)24-12-13-5-3-2-4-6-13/h2-7,9,11,17H,8,10,12H2,1H3,(H,20,22)
InChIKeyOYUVMDWORPMJBT-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 67088132) is methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)CCC2NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is OYUVMDWORPMJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-18(21)15-7-9-16-14(11-15)8-10-17(16)20-19(22)24-12-13-5-3-2-4-6-13/h2-7,9,11,17H,8,10,12H2,1H3,(H,20,22).
What are the key properties of methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 67088132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).