3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide

C25H29N3O4 — CID 171676483

IUPAC3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2C3CCC2CN(C(=O)CCc2cccc(O)c2)C3)c1
InChIInChI=1S/C25H29N3O4/c26-25(32)17-4-2-5-20(12-17)27-23(30)13-22-18-8-9-19(22)15-28(14-18)24(31)10-7-16-3-1-6-21(29)11-16/h1-6,11-12,18-19,22,29H,7-10,13-15H2,(H2,26,32)(H,27,30)
InChIKeyZNPQCTJQWFTNAL-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.94
Rot. Bonds7

About 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide

3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide (PubChem CID 171676483) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide
PubChem CID171676483
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CC2C3CCC2CN(C(=O)CCc2cccc(O)c2)C3)c1
InChIInChI=1S/C25H29N3O4/c26-25(32)17-4-2-5-20(12-17)27-23(30)13-22-18-8-9-19(22)15-28(14-18)24(31)10-7-16-3-1-6-21(29)11-16/h1-6,11-12,18-19,22,29H,7-10,13-15H2,(H2,26,32)(H,27,30)
InChIKeyZNPQCTJQWFTNAL-UHFFFAOYSA-N
XLogP2.94
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide with MolForge

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Related Compounds

1-[(3aR,6aS)-5-[3-(3-hydroxyphenyl)propanoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-pyridin-4-ylpropan-1-one
CID 167758609
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817
3-(3-hydroxyphenyl)-1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-1-one
CID 77081008
3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
CID 64612243
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-(3-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369331
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
CID 56914703
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide (CID 171676483) is 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CC2C3CCC2CN(C(=O)CCc2cccc(O)c2)C3)c1.
What is the InChIKey of 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide?
The InChIKey is ZNPQCTJQWFTNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c26-25(32)17-4-2-5-20(12-17)27-23(30)13-22-18-8-9-19(22)15-28(14-18)24(31)10-7-16-3-1-6-21(29)11-16/h1-6,11-12,18-19,22,29H,7-10,13-15H2,(H2,26,32)(H,27,30).
What are the key properties of 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide?
3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide has a molecular weight of 435.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-[3-(3-hydroxyphenyl)propanoyl]-3-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]benzamide is sourced from PubChem (CID 171676483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).