N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide

C16H23NO2 — CID 91631260

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide
SMILESCOC1(CNC(=O)CC(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-12(2)8-15(18)17-11-16(19-3)9-13-6-4-5-7-14(13)10-16/h4-7,12H,8-11H2,1-3H3,(H,17,18)
InChIKeyPGKCEELVLPZVBC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide (PubChem CID 91631260) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide
PubChem CID91631260
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide
SMILESCOC1(CNC(=O)CC(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-12(2)8-15(18)17-11-16(19-3)9-13-6-4-5-7-14(13)10-16/h4-7,12H,8-11H2,1-3H3,(H,17,18)
InChIKeyPGKCEELVLPZVBC-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide (CID 91631260) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide is COC1(CNC(=O)CC(C)C)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide?
The InChIKey is PGKCEELVLPZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)8-15(18)17-11-16(19-3)9-13-6-4-5-7-14(13)10-16/h4-7,12H,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 91631260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).