methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate

C15H19NO4 — CID 10062053

IUPACmethyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)C(NC(C)=O)C1CCc2cc(OC)ccc21
InChIInChI=1S/C15H19NO4/c1-9(17)16-14(15(18)20-3)13-6-4-10-8-11(19-2)5-7-12(10)13/h5,7-8,13-14H,4,6H2,1-3H3,(H,16,17)
InChIKeyRHSMQSNNJBDTDD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds4

About methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate

methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 10062053) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID10062053
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)C(NC(C)=O)C1CCc2cc(OC)ccc21
InChIInChI=1S/C15H19NO4/c1-9(17)16-14(15(18)20-3)13-6-4-10-8-11(19-2)5-7-12(10)13/h5,7-8,13-14H,4,6H2,1-3H3,(H,16,17)
InChIKeyRHSMQSNNJBDTDD-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
[(1R)-1-[(1S)-1-acetamido-2-amino-2-oxoethyl]-2,3-dihydro-1H-inden-5-yl] ditert-butyl phosphate
CID 10410979
(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 10467195
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoate
CID 23529442
methyl 2-(2,3-dihydro-1H-inden-1-yl)-2-(prop-2-enoylamino)acetate
CID 146103253
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
methyl 2-amino-2-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)acetate
CID 83985245
N-butan-2-yl-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110633711

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (CID 10062053) is methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate is COC(=O)C(NC(C)=O)C1CCc2cc(OC)ccc21.
What is the InChIKey of methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is RHSMQSNNJBDTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(17)16-14(15(18)20-3)13-6-4-10-8-11(19-2)5-7-12(10)13/h5,7-8,13-14H,4,6H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 277.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 10062053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).