4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide

C26H29N3O4 — CID 56526790

IUPAC4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN(CC(C)O)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O4/c1-19(30)18-29(22-8-4-3-5-9-22)17-16-25(31)27-21-14-12-20(13-15-21)26(32)28-23-10-6-7-11-24(23)33-2/h3-15,19,30H,16-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyLJRVRBNQWOMJAF-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.16
Rot. Bonds10

About 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide

4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 56526790) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID56526790
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN(CC(C)O)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O4/c1-19(30)18-29(22-8-4-3-5-9-22)17-16-25(31)27-21-14-12-20(13-15-21)26(32)28-23-10-6-7-11-24(23)33-2/h3-15,19,30H,16-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyLJRVRBNQWOMJAF-UHFFFAOYSA-N
XLogP4.16
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
CID 52546324
methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate
CID 56527077
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
CID 55850982
4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56525116
N-(2-methoxyphenyl)-4-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8898758
N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
CID 56527051
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8583822
4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7644043
4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 35504895
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657

Frequently Asked Questions

What is the IUPAC name of 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide (CID 56526790) is 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(CC(C)O)c2ccccc2)cc1.
What is the InChIKey of 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is LJRVRBNQWOMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-19(30)18-29(22-8-4-3-5-9-22)17-16-25(31)27-21-14-12-20(13-15-21)26(32)28-23-10-6-7-11-24(23)33-2/h3-15,19,30H,16-18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 56526790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).