4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide

C21H25N3O3 — CID 86994987

IUPAC4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)NCC2CCCc3ccccc32)c1
InChIInChI=1S/C21H25N3O3/c1-22-20(25)15-10-11-19(27-2)18(12-15)24-21(26)23-13-16-8-5-7-14-6-3-4-9-17(14)16/h3-4,6,9-12,16H,5,7-8,13H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyHBJSRHAFYUOJBW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.30
Rot. Bonds5

About 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide

4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide (PubChem CID 86994987) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
PubChem CID86994987
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)NCC2CCCc3ccccc32)c1
InChIInChI=1S/C21H25N3O3/c1-22-20(25)15-10-11-19(27-2)18(12-15)24-21(26)23-13-16-8-5-7-14-6-3-4-9-17(14)16/h3-4,6,9-12,16H,5,7-8,13H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyHBJSRHAFYUOJBW-UHFFFAOYSA-N
XLogP3.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoylamino)-4-methoxy-N-methylbenzamide
CID 118773890
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46402452
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
3-methoxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 166351622
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
5-bromo-2-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771421
N-methyl-3-[2-[[N'-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111632014
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
N-(2,5-dimethoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260607
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide (CID 86994987) is 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide is CNC(=O)c1ccc(OC)c(NC(=O)NCC2CCCc3ccccc32)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide?
The InChIKey is HBJSRHAFYUOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22-20(25)15-10-11-19(27-2)18(12-15)24-21(26)23-13-16-8-5-7-14-6-3-4-9-17(14)16/h3-4,6,9-12,16H,5,7-8,13H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide?
4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 86994987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).