4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide

C21H21N3O3 — CID 71893360

IUPAC4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O3/c1-24(13-14-7-8-15-5-3-4-6-16(15)11-14)21(26)23-18-12-17(20(22)25)9-10-19(18)27-2/h3-12H,13H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyJMBCUZZLQQBFSJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.61
Rot. Bonds5

About 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide

4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide (PubChem CID 71893360) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide
PubChem CID71893360
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O3/c1-24(13-14-7-8-15-5-3-4-6-16(15)11-14)21(26)23-18-12-17(20(22)25)9-10-19(18)27-2/h3-12H,13H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyJMBCUZZLQQBFSJ-UHFFFAOYSA-N
XLogP3.61
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
CID 31282342
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-(butanoylamino)-4-methoxybenzamide
CID 47243869

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide?
The IUPAC name of 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide (CID 71893360) is 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide?
The canonical SMILES for 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide?
The InChIKey is JMBCUZZLQQBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(13-14-7-8-15-5-3-4-6-16(15)11-14)21(26)23-18-12-17(20(22)25)9-10-19(18)27-2/h3-12H,13H2,1-2H3,(H2,22,25)(H,23,26).
What are the key properties of 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide?
4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 71893360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).