3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide

C20H27N3O2 — CID 133167178

IUPAC3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
SMILESCOCCNC(=O)c1ccc(NC(C)CCc2ccccc2)c(N)c1
InChIInChI=1S/C20H27N3O2/c1-15(8-9-16-6-4-3-5-7-16)23-19-11-10-17(14-18(19)21)20(24)22-12-13-25-2/h3-7,10-11,14-15,23H,8-9,12-13,21H2,1-2H3,(H,22,24)
InChIKeyHGMNBYWGWYVSKU-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.08
Rot. Bonds9

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

3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide (PubChem CID 133167178) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
PubChem CID133167178
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
SMILESCOCCNC(=O)c1ccc(NC(C)CCc2ccccc2)c(N)c1
InChIInChI=1S/C20H27N3O2/c1-15(8-9-16-6-4-3-5-7-16)23-19-11-10-17(14-18(19)21)20(24)22-12-13-25-2/h3-7,10-11,14-15,23H,8-9,12-13,21H2,1-2H3,(H,22,24)
InChIKeyHGMNBYWGWYVSKU-UHFFFAOYSA-N
XLogP3.08
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.08
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'}

Analyze 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175
3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
ethyl 3-amino-4-(4-phenylbutan-2-ylamino)benzoate
CID 133240212
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
CID 100625742
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100655207
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide (CID 133167178) is 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide is COCCNC(=O)c1ccc(NC(C)CCc2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide?
The InChIKey is HGMNBYWGWYVSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(8-9-16-6-4-3-5-7-16)23-19-11-10-17(14-18(19)21)20(24)22-12-13-25-2/h3-7,10-11,14-15,23H,8-9,12-13,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide?
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide has a molecular weight of 341.46 g/mol, XLogP of 3.08, 9 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-(4-phenylbutan-2-ylamino)benzamide is sourced from PubChem (CID 133167178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).