2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide

C22H23N3O4 — CID 100904417

IUPAC2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CN1CC[C@H]2CCOC(=O)[C@H]21)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H23N3O4/c26-19(14-25-12-10-15-11-13-29-22(28)20(15)25)24-18-9-5-4-8-17(18)21(27)23-16-6-2-1-3-7-16/h1-9,15,20H,10-14H2,(H,23,27)(H,24,26)/t15-,20-/m0/s1
InChIKeyPZCMPPNSIRKJQT-YWZLYKJASA-N
MW393.44 g/mol
LogP2.51
Rot. Bonds5

About 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide

2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide (PubChem CID 100904417) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide
PubChem CID100904417
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CN1CC[C@H]2CCOC(=O)[C@H]21)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H23N3O4/c26-19(14-25-12-10-15-11-13-29-22(28)20(15)25)24-18-9-5-4-8-17(18)21(27)23-16-6-2-1-3-7-16/h1-9,15,20H,10-14H2,(H,23,27)(H,24,26)/t15-,20-/m0/s1
InChIKeyPZCMPPNSIRKJQT-YWZLYKJASA-N
XLogP2.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(3aR,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 100904411
2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 97328215
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 2535366
2-[[2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)acetyl]amino]-N-phenylbenzamide
CID 8717333
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 55989512
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
N-(4-fluorophenyl)-2-[[2-[2-(N'-hydroxycarbamimidoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 126808335
2-(butanoylamino)-N-phenylbenzamide
CID 676008
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
(2S)-1-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 40813358

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide (CID 100904417) is 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide is O=C(CN1CC[C@H]2CCOC(=O)[C@H]21)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide?
The InChIKey is PZCMPPNSIRKJQT-YWZLYKJASA-N. The full InChI is InChI=1S/C22H23N3O4/c26-19(14-25-12-10-15-11-13-29-22(28)20(15)25)24-18-9-5-4-8-17(18)21(27)23-16-6-2-1-3-7-16/h1-9,15,20H,10-14H2,(H,23,27)(H,24,26)/t15-,20-/m0/s1.
What are the key properties of 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide?
2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide has a molecular weight of 393.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 100904417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).