N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide

C27H27N3O4 — CID 55973311

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide (PubChem CID 55973311) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
• PubChem CID: 55973311
• Molecular Formula: C27H27N3O4
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.20
• IUPAC Name: N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
• SMILES: Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1
• InChI: InChI=1S/C27H27N3O4/c1-17-24(18(2)34-29-17)16-33-25-15-21-8-6-5-7-20(21)14-23(25)27(32)28-22-11-9-19(10-12-22)13-26(31)30(3)4/h5-12,14-15H,13,16H2,1-4H3,(H,28,32)
• InChIKey: JGOZXYVESMHFAB-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide?

The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide (CID 55973311) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide.

What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide?

The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1.

What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide?

The InChIKey is JGOZXYVESMHFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-17-24(18(2)34-29-17)16-33-25-15-21-8-6-5-7-20(21)14-23(25)27(32)28-22-11-9-19(10-12-22)13-26(31)30(3)4/h5-12,14-15H,13,16H2,1-4H3,(H,28,32).

What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide?

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 55973311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).