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

C28H32N4O4 — CID 54837559

IUPACN-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C28H32N4O4/c1-36-17-7-16-29-28(35)22-10-5-12-24(18-22)32-27(34)20-30-23-11-6-13-25(19-23)31-26(33)15-14-21-8-3-2-4-9-21/h2-6,8-13,18-19,30H,7,14-17,20H2,1H3,(H,29,35)(H,31,33)(H,32,34)
InChIKeyZDESJJUYEVALQD-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.07
Rot. Bonds13

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

N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54837559) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54837559
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C28H32N4O4/c1-36-17-7-16-29-28(35)22-10-5-12-24(18-22)32-27(34)20-30-23-11-6-13-25(19-23)31-26(33)15-14-21-8-3-2-4-9-21/h2-6,8-13,18-19,30H,7,14-17,20H2,1H3,(H,29,35)(H,31,33)(H,32,34)
InChIKeyZDESJJUYEVALQD-UHFFFAOYSA-N
XLogP4.07
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837288
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843328
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide (CID 54837559) is N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide is COCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)CCc3ccccc3)c2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is ZDESJJUYEVALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-36-17-7-16-29-28(35)22-10-5-12-24(18-22)32-27(34)20-30-23-11-6-13-25(19-23)31-26(33)15-14-21-8-3-2-4-9-21/h2-6,8-13,18-19,30H,7,14-17,20H2,1H3,(H,29,35)(H,31,33)(H,32,34).
What are the key properties of N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 488.59 g/mol, XLogP of 4.07, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54837559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).