4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide

C22H22N2O3 — CID 157435592

IUPAC4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1CC(=O)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-27-21-12-18(22(24)26)9-8-17(21)11-20(25)19(13-23)16-7-6-14-4-2-3-5-15(14)10-16/h2-10,12,19H,11,13,23H2,1H3,(H2,24,26)
InChIKeyAQLKGRGWYRHOMT-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.80
Rot. Bonds7

About 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide

4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide (PubChem CID 157435592) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide
PubChem CID157435592
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1CC(=O)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-27-21-12-18(22(24)26)9-8-17(21)11-20(25)19(13-23)16-7-6-14-4-2-3-5-15(14)10-16/h2-10,12,19H,11,13,23H2,1H3,(H2,24,26)
InChIKeyAQLKGRGWYRHOMT-UHFFFAOYSA-N
XLogP2.80
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
CID 19906374
4-amino-3-(4-hydroxyphenyl)-1-naphthalen-2-ylbutan-2-one
CID 161368892
4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
CID 91429905
(3R)-4-(4-methoxyphenyl)-N,N-dimethyl-3-naphthalen-2-yl-4-oxobutanamide
CID 101399644
methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-(1-naphthalen-2-ylethylamino)benzamide
CID 43824500

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide?
The IUPAC name of 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide (CID 157435592) is 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide?
The canonical SMILES for 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide is COc1cc(C(N)=O)ccc1CC(=O)C(CN)c1ccc2ccccc2c1.
What is the InChIKey of 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide?
The InChIKey is AQLKGRGWYRHOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-21-12-18(22(24)26)9-8-17(21)11-20(25)19(13-23)16-7-6-14-4-2-3-5-15(14)10-16/h2-10,12,19H,11,13,23H2,1H3,(H2,24,26).
What are the key properties of 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide?
4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide is sourced from PubChem (CID 157435592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).