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

C18H23N3O2 — CID 100625211

IUPAC3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
SMILESCCc1ccc(Nc2ccc(C(=O)NCCOC)cc2N)cc1
InChIInChI=1S/C18H23N3O2/c1-3-13-4-7-15(8-5-13)21-17-9-6-14(12-16(17)19)18(22)20-10-11-23-2/h4-9,12,21H,3,10-11,19H2,1-2H3,(H,20,22)
InChIKeyCOAHHQRCDOQXQQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.95
Rot. Bonds7

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

3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide (PubChem CID 100625211) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
PubChem CID100625211
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
SMILESCCc1ccc(Nc2ccc(C(=O)NCCOC)cc2N)cc1
InChIInChI=1S/C18H23N3O2/c1-3-13-4-7-15(8-5-13)21-17-9-6-14(12-16(17)19)18(22)20-10-11-23-2/h4-9,12,21H,3,10-11,19H2,1-2H3,(H,20,22)
InChIKeyCOAHHQRCDOQXQQ-UHFFFAOYSA-N
XLogP2.95
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.95
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-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
CID 100625742
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100630644
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
CID 100624621
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-(3,4-dichloroanilino)-N-propylbenzamide
CID 100628453
3-amino-4-(3,5-dichloroanilino)-N-propylbenzamide
CID 100628629
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide (CID 100625211) is 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide is CCc1ccc(Nc2ccc(C(=O)NCCOC)cc2N)cc1.
What is the InChIKey of 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide?
The InChIKey is COAHHQRCDOQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-13-4-7-15(8-5-13)21-17-9-6-14(12-16(17)19)18(22)20-10-11-23-2/h4-9,12,21H,3,10-11,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide?
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100625211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).