3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C21H25NO3 — CID 28549066

IUPAC3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H25NO3/c1-14(16-9-8-15-6-4-5-7-17(15)10-16)22-21(23)18-11-19(24-2)13-20(12-18)25-3/h8-14H,4-7H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyNGWXAXGRDVBJHW-CQSZACIVSA-N
MW339.44 g/mol
LogP4.07
Rot. Bonds5

About 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 28549066) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
PubChem CID28549066
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H25NO3/c1-14(16-9-8-15-6-4-5-7-17(15)10-16)22-21(23)18-11-19(24-2)13-20(12-18)25-3/h8-14H,4-7H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyNGWXAXGRDVBJHW-CQSZACIVSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886527
3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2225872
5-methoxy-2-nitro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 47848917
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 28549066) is 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
The InChIKey is NGWXAXGRDVBJHW-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14(16-9-8-15-6-4-5-7-17(15)10-16)22-21(23)18-11-19(24-2)13-20(12-18)25-3/h8-14H,4-7H2,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 28549066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).