N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide

C24H23N3O3 — CID 20921968

IUPACN-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c1cccnc1n2CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C24H23N3O3/c1-4-30-17-9-10-21-19(13-17)23(29)18-6-5-11-25-24(18)27(21)14-22(28)26-20-12-15(2)7-8-16(20)3/h5-13H,4,14H2,1-3H3,(H,26,28)
InChIKeyNAYMSAHEAFEPKC-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.20
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide

N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide (PubChem CID 20921968) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide
PubChem CID20921968
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c1cccnc1n2CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C24H23N3O3/c1-4-30-17-9-10-21-19(13-17)23(29)18-6-5-11-25-24(18)27(21)14-22(28)26-20-12-15(2)7-8-16(20)3/h5-13H,4,14H2,1-3H3,(H,26,28)
InChIKeyNAYMSAHEAFEPKC-UHFFFAOYSA-N
XLogP4.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083271
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-[(4-ethoxyphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841414
N-(4-methoxy-2-methylphenyl)-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841427
2-(2-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6615384
N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841363
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 46925353
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032273
N-(2,5-dimethylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434223
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285
2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide (CID 20921968) is N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide is CCOc1ccc2c(c1)c(=O)c1cccnc1n2CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide?
The InChIKey is NAYMSAHEAFEPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-4-30-17-9-10-21-19(13-17)23(29)18-6-5-11-25-24(18)27(21)14-22(28)26-20-12-15(2)7-8-16(20)3/h5-13H,4,14H2,1-3H3,(H,26,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide is sourced from PubChem (CID 20921968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).