3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

C20H25N3O4 — CID 54817532

IUPAC3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2ccccc2OC)c1
InChIInChI=1S/C20H25N3O4/c1-26-12-6-11-21-20(25)15-7-5-8-16(13-15)23-19(24)14-22-17-9-3-4-10-18(17)27-2/h3-5,7-10,13,22H,6,11-12,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyWBWIJKLXDJFYMF-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.51
Rot. Bonds10

About 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54817532) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54817532
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2ccccc2OC)c1
InChIInChI=1S/C20H25N3O4/c1-26-12-6-11-21-20(25)15-7-5-8-16(13-15)23-19(24)14-22-17-9-3-4-10-18(17)27-2/h3-5,7-10,13,22H,6,11-12,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyWBWIJKLXDJFYMF-UHFFFAOYSA-N
XLogP2.51
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809231
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-(3-methoxypropyl)-3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842675
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837559
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54817532) is 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(NC(=O)CNc2ccccc2OC)c1.
What is the InChIKey of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is WBWIJKLXDJFYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-12-6-11-21-20(25)15-7-5-8-16(13-15)23-19(24)14-22-17-9-3-4-10-18(17)27-2/h3-5,7-10,13,22H,6,11-12,14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54817532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).