3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide

C20H21N3O2 — CID 100625742

IUPAC3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1
InChIInChI=1S/C20H21N3O2/c1-25-12-11-22-20(24)15-9-10-19(17(21)13-15)23-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,23H,11-12,21H2,1H3,(H,22,24)
InChIKeyPOESIWUBMDMKIE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.54
Rot. Bonds6

About 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide

3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide (PubChem CID 100625742) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
PubChem CID100625742
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1
InChIInChI=1S/C20H21N3O2/c1-25-12-11-22-20(24)15-9-10-19(17(21)13-15)23-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,23H,11-12,21H2,1H3,(H,22,24)
InChIKeyPOESIWUBMDMKIE-UHFFFAOYSA-N
XLogP3.54
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100630644
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
CID 100629601
N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809231
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide (CID 100625742) is 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide is COCCNC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide?
The InChIKey is POESIWUBMDMKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-12-11-22-20(24)15-9-10-19(17(21)13-15)23-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,23H,11-12,21H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide?
3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide is sourced from PubChem (CID 100625742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).