N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide

C16H23NO2 — CID 11054448

IUPACN-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
SMILESCCOc1ccc2c(c1)C(CCNC(=O)CC)CC2
InChIInChI=1S/C16H23NO2/c1-3-16(18)17-10-9-13-6-5-12-7-8-14(19-4-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyDLLIXCPIPVUEBH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide

N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide (PubChem CID 11054448) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
PubChem CID11054448
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
SMILESCCOc1ccc2c(c1)C(CCNC(=O)CC)CC2
InChIInChI=1S/C16H23NO2/c1-3-16(18)17-10-9-13-6-5-12-7-8-14(19-4-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyDLLIXCPIPVUEBH-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 208902
Tasimelteon
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CID 9881626
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
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N-[3-(3-methoxyphenyl)propyl]acetamide
CID 10750842
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Cifea
CID 53238181
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
Bomppa
CID 71508234
N-(3-(3-methoxyphenyl)propyl)propionamide
CID 10104923
(S)-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-YL)ethyl]propanamide
CID 9816335

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide (CID 11054448) is N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide is CCOc1ccc2c(c1)C(CCNC(=O)CC)CC2.
What is the InChIKey of N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
The InChIKey is DLLIXCPIPVUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-16(18)17-10-9-13-6-5-12-7-8-14(19-4-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide is sourced from PubChem (CID 11054448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).