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

C21H21NO3 — CID 77170120

IUPACmethyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)C1CCc3ccccc31)CC2
InChIInChI=1S/C21H21NO3/c1-25-21(24)15-7-6-14-9-11-19(18(14)12-15)22-20(23)17-10-8-13-4-2-3-5-16(13)17/h2-7,12,17,19H,8-11H2,1H3,(H,22,23)
InChIKeySGMFCHPZEQYAQR-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.31
Rot. Bonds3

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

methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 77170120) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID77170120
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Namemethyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)C1CCc3ccccc31)CC2
InChIInChI=1S/C21H21NO3/c1-25-21(24)15-7-6-14-9-11-19(18(14)12-15)22-20(23)17-10-8-13-4-2-3-5-16(13)17/h2-7,12,17,19H,8-11H2,1H3,(H,22,23)
InChIKeySGMFCHPZEQYAQR-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805415
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
methyl 3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67547074
methyl 3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67546137
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805276
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66798989
5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid;methyl 5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CID 162002147
N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 77081814
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 77170120) is methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)C(NC(=O)C1CCc3ccccc31)CC2.
What is the InChIKey of methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is SGMFCHPZEQYAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-25-21(24)15-7-6-14-9-11-19(18(14)12-15)22-20(23)17-10-8-13-4-2-3-5-16(13)17/h2-7,12,17,19H,8-11H2,1H3,(H,22,23).
What are the key properties of methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 77170120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).