N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide

C26H29N3O3 — CID 54826893

IUPACN-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C26H29N3O3/c1-2-27-26(31)21-13-8-14-22(18-21)29-25(30)19-28-23-15-6-7-16-24(23)32-17-9-12-20-10-4-3-5-11-20/h3-8,10-11,13-16,18,28H,2,9,12,17,19H2,1H3,(H,27,31)(H,29,30)
InChIKeyNLBVPDUSOFVIOS-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.50
Rot. Bonds11

About N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide

N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide (PubChem CID 54826893) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
PubChem CID54826893
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C26H29N3O3/c1-2-27-26(31)21-13-8-14-22(18-21)29-25(30)19-28-23-15-6-7-16-24(23)32-17-9-12-20-10-4-3-5-11-20/h3-8,10-11,13-16,18,28H,2,9,12,17,19H2,1H3,(H,27,31)(H,29,30)
InChIKeyNLBVPDUSOFVIOS-UHFFFAOYSA-N
XLogP4.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.50
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-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
3-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54827048
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54826954
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 41397412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide (CID 54826893) is N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1.
What is the InChIKey of N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
The InChIKey is NLBVPDUSOFVIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-27-26(31)21-13-8-14-22(18-21)29-25(30)19-28-23-15-6-7-16-24(23)32-17-9-12-20-10-4-3-5-11-20/h3-8,10-11,13-16,18,28H,2,9,12,17,19H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.50, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54826893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).