N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide

C22H27NO2 — CID 44582585

IUPACN-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)C(Cc1ccccc1)CC2
InChIInChI=1S/C22H27NO2/c1-16(24)23-13-12-21-19(14-17-6-4-3-5-7-17)9-8-18-10-11-20(25-2)15-22(18)21/h3-7,10-11,15,19,21H,8-9,12-14H2,1-2H3,(H,23,24)
InChIKeyJRFAYRRRAZMFGT-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide

N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (PubChem CID 44582585) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
PubChem CID44582585
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)C(Cc1ccccc1)CC2
InChIInChI=1S/C22H27NO2/c1-16(24)23-13-12-21-19(14-17-6-4-3-5-7-17)9-8-18-10-11-20(25-2)15-22(18)21/h3-7,10-11,15,19,21H,8-9,12-14H2,1-2H3,(H,23,24)
InChIKeyJRFAYRRRAZMFGT-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
(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
N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
CID 25271168
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
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-methylpropanamide
CID 54317020
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide
CID 70019613
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (CID 44582585) is N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is COc1ccc2c(c1)C(CCNC(C)=O)C(Cc1ccccc1)CC2.
What is the InChIKey of N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The InChIKey is JRFAYRRRAZMFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(24)23-13-12-21-19(14-17-6-4-3-5-7-17)9-8-18-10-11-20(25-2)15-22(18)21/h3-7,10-11,15,19,21H,8-9,12-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide has a molecular weight of 337.46 g/mol, XLogP of 4.11, 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-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 44582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).