3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide

C18H25N3O2 — CID 166256523

IUPAC3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)c1
InChIInChI=1S/C18H25N3O2/c1-2-19-18(23)14-6-3-7-15(11-14)20-17(22)12-21-10-9-13-5-4-8-16(13)21/h3,6-7,11,13,16H,2,4-5,8-10,12H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m0/s1
InChIKeyMFXSKQAYMBOLOM-BBRMVZONSA-N
MW315.42 g/mol
LogP2.25
Rot. Bonds5

About 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide

3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide (PubChem CID 166256523) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
PubChem CID166256523
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)c1
InChIInChI=1S/C18H25N3O2/c1-2-19-18(23)14-6-3-7-15(11-14)20-17(22)12-21-10-9-13-5-4-8-16(13)21/h3,6-7,11,13,16H,2,4-5,8-10,12H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m0/s1
InChIKeyMFXSKQAYMBOLOM-BBRMVZONSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide with MolForge

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Related Compounds

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CID 82746898
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CID 8539004
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
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CID 60512579
3-acetamido-N-ethylbenzamide
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N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 126772136
N-ethyl-3-[[2-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 71908904
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
CID 47077545
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202924
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide (CID 166256523) is 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)c1.
What is the InChIKey of 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide?
The InChIKey is MFXSKQAYMBOLOM-BBRMVZONSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-19-18(23)14-6-3-7-15(11-14)20-17(22)12-21-10-9-13-5-4-8-16(13)21/h3,6-7,11,13,16H,2,4-5,8-10,12H2,1H3,(H,19,23)(H,20,22)/t13-,16-/m0/s1.
What are the key properties of 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide?
3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide has a molecular weight of 315.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 166256523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).