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

C21H25NO2 — CID 25270486

IUPACN-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)C(Cc1ccccc1)C2
InChIInChI=1S/C21H25NO2/c1-15(23)22-11-10-20-18(12-16-6-4-3-5-7-16)13-17-8-9-19(24-2)14-21(17)20/h3-9,14,18,20H,10-13H2,1-2H3,(H,22,23)
InChIKeyBPOPGICACIINTC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.72
Rot. Bonds6

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

N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide (PubChem CID 25270486) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
PubChem CID25270486
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)C(Cc1ccccc1)C2
InChIInChI=1S/C21H25NO2/c1-15(23)22-11-10-20-18(12-16-6-4-3-5-7-16)13-17-8-9-19(24-2)14-21(17)20/h3-9,14,18,20H,10-13H2,1-2H3,(H,22,23)
InChIKeyBPOPGICACIINTC-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide
CID 70019613
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582885
4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol
CID 70854583
N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
CID 25271168
5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
CID 166125999
N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
CID 102013000
N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide
CID 18177456
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide (CID 25270486) is N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide is COc1ccc2c(c1)C(CCNC(C)=O)C(Cc1ccccc1)C2.
What is the InChIKey of N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
The InChIKey is BPOPGICACIINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(23)22-11-10-20-18(12-16-6-4-3-5-7-16)13-17-8-9-19(24-2)14-21(17)20/h3-9,14,18,20H,10-13H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide is sourced from PubChem (CID 25270486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).