N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide

C16H23NO2 — CID 54317020

IUPACN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)[C@H](CCNC(=O)C(C)C)CC2
InChIInChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeySOXXIXGGIULERY-ZDUSSCGKSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds5

About N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide

N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide (PubChem CID 54317020) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
PubChem CID54317020
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)[C@H](CCNC(=O)C(C)C)CC2
InChIInChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeySOXXIXGGIULERY-ZDUSSCGKSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
CID 22922665
2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
CID 11076588
N-[2-(6-propoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 10912753
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]cyclopropanecarboxamide;N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]pentanamide;1-(4-methoxyphenyl)-3-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]urea;N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide;N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide;N-[2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-2-methylpropanamide;2,2,2-trifluoro-N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 159336783
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 143796011
N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
CID 25271168
methyl 3-[2-(butanoylamino)ethyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 22922688

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide (CID 54317020) is N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide is COc1ccc2c(c1)[C@H](CCNC(=O)C(C)C)CC2.
What is the InChIKey of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is SOXXIXGGIULERY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide?
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 54317020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).