N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H25NO2 — CID 167812395

IUPACN-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)CC2CCCc3ccccc32)c1C
InChIInChI=1S/C21H25NO2/c1-15-18(10-6-12-20(15)24-2)14-22-21(23)13-17-9-5-8-16-7-3-4-11-19(16)17/h3-4,6-7,10-12,17H,5,8-9,13-14H2,1-2H3,(H,22,23)
InChIKeyKFBBLYZKAMPXIC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.13
Rot. Bonds5

About N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 167812395) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID167812395
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)CC2CCCc3ccccc32)c1C
InChIInChI=1S/C21H25NO2/c1-15-18(10-6-12-20(15)24-2)14-22-21(23)13-17-9-5-8-16-7-3-4-11-19(16)17/h3-4,6-7,10-12,17H,5,8-9,13-14H2,1-2H3,(H,22,23)
InChIKeyKFBBLYZKAMPXIC-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60733536
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
CID 163327820
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-(2,3-dihydro-1-benzofuran-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110753758
2-methyl-3-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 56783711
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616906

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 167812395) is N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1cccc(CNC(=O)CC2CCCc3ccccc32)c1C.
What is the InChIKey of N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is KFBBLYZKAMPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15-18(10-6-12-20(15)24-2)14-22-21(23)13-17-9-5-8-16-7-3-4-11-19(16)17/h3-4,6-7,10-12,17H,5,8-9,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-methylphenyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 167812395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).