3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide

C21H21NO3 — CID 112762780

IUPAC3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC(C)C
InChIInChI=1S/C21H21NO3/c1-14(2)25-19-12-11-16(13-20(19)24-3)21(23)22-18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3,(H,22,23)
InChIKeyBHNBRGZIAZOUDI-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.89
Rot. Bonds5

About 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide

3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide (PubChem CID 112762780) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
PubChem CID112762780
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC(C)C
InChIInChI=1S/C21H21NO3/c1-14(2)25-19-12-11-16(13-20(19)24-3)21(23)22-18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3,(H,22,23)
InChIKeyBHNBRGZIAZOUDI-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
CID 55833867
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 120568157
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55377881
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide (CID 112762780) is 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide?
The InChIKey is BHNBRGZIAZOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14(2)25-19-12-11-16(13-20(19)24-3)21(23)22-18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3,(H,22,23).
What are the key properties of 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide?
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide has a molecular weight of 335.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 112762780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).