N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide

C22H23N3O3 — CID 54809231

IUPACN-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1
InChIInChI=1S/C22H23N3O3/c1-28-13-12-23-22(27)17-8-4-9-18(14-17)25-21(26)15-24-20-11-5-7-16-6-2-3-10-19(16)20/h2-11,14,24H,12-13,15H2,1H3,(H,23,27)(H,25,26)
InChIKeyBNPBQLKELNZOBF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.27
Rot. Bonds8

About N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide (PubChem CID 54809231) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
PubChem CID54809231
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1
InChIInChI=1S/C22H23N3O3/c1-28-13-12-23-22(27)17-8-4-9-18(14-17)25-21(26)15-24-20-11-5-7-16-6-2-3-10-19(16)20/h2-11,14,24H,12-13,15H2,1H3,(H,23,27)(H,25,26)
InChIKeyBNPBQLKELNZOBF-UHFFFAOYSA-N
XLogP3.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809082
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide (CID 54809231) is N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide is COCCNC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
The InChIKey is BNPBQLKELNZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-13-12-23-22(27)17-8-4-9-18(14-17)25-21(26)15-24-20-11-5-7-16-6-2-3-10-19(16)20/h2-11,14,24H,12-13,15H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54809231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).