4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid

C20H17NO4 — CID 19906374

IUPAC4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1cccc2ccc(C(N)=O)cc12
InChIInChI=1S/C20H17NO4/c1-25-18-11-16(20(23)24)8-6-14(18)9-13-4-2-3-12-5-7-15(19(21)22)10-17(12)13/h2-8,10-11H,9H2,1H3,(H2,21,22)(H,23,24)
InChIKeyJPUCMGQYDIMRMR-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.24
Rot. Bonds5

About 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid

4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid (PubChem CID 19906374) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
PubChem CID19906374
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1cccc2ccc(C(N)=O)cc12
InChIInChI=1S/C20H17NO4/c1-25-18-11-16(20(23)24)8-6-14(18)9-13-4-2-3-12-5-7-15(19(21)22)10-17(12)13/h2-8,10-11H,9H2,1H3,(H2,21,22)(H,23,24)
InChIKeyJPUCMGQYDIMRMR-UHFFFAOYSA-N
XLogP3.24
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
CID 67896407
3-methoxy-4-[[7-[(Z)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]naphthalen-1-yl]methyl]benzoic acid
CID 67896435
4-[[7-[5-(dimethylamino)-5-oxopentyl]naphthalen-1-yl]methyl]-3-methoxybenzoic acid
CID 19906361
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid
CID 177288276
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
3,4-dimethoxybenzoic acid;methanol
CID 144580050
methyl 4-[[7-[5-(dimethylamino)-5-oxopent-1-enyl]naphthalen-1-yl]methyl]-3-methoxybenzoate
CID 54134676
4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide
CID 157435592

Frequently Asked Questions

What is the IUPAC name of 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid (CID 19906374) is 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Cc1cccc2ccc(C(N)=O)cc12.
What is the InChIKey of 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid?
The InChIKey is JPUCMGQYDIMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-25-18-11-16(20(23)24)8-6-14(18)9-13-4-2-3-12-5-7-15(19(21)22)10-17(12)13/h2-8,10-11H,9H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid?
4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid has a molecular weight of 335.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid is sourced from PubChem (CID 19906374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).