3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide

C17H21N3O3 — CID 100629126

IUPAC3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ccccc2OC)c(N)c1
InChIInChI=1S/C17H21N3O3/c1-22-10-9-19-17(21)12-7-8-14(13(18)11-12)20-15-5-3-4-6-16(15)23-2/h3-8,11,20H,9-10,18H2,1-2H3,(H,19,21)
InChIKeyRZJLGDIENGZHQN-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.40
Rot. Bonds7

About 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide

3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide (PubChem CID 100629126) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
PubChem CID100629126
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ccccc2OC)c(N)c1
InChIInChI=1S/C17H21N3O3/c1-22-10-9-19-17(21)12-7-8-14(13(18)11-12)20-15-5-3-4-6-16(15)23-2/h3-8,11,20H,9-10,18H2,1-2H3,(H,19,21)
InChIKeyRZJLGDIENGZHQN-UHFFFAOYSA-N
XLogP2.40
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-propylbenzamide
CID 100629061
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100630644
3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
CID 100625742
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
CID 100629601
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-4-anilino-N-ethylbenzamide
CID 82999542

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide (CID 100629126) is 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Nc2ccccc2OC)c(N)c1.
What is the InChIKey of 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide?
The InChIKey is RZJLGDIENGZHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-10-9-19-17(21)12-7-8-14(13(18)11-12)20-15-5-3-4-6-16(15)23-2/h3-8,11,20H,9-10,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide?
3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100629126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).