2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide

C20H29N3O3 — CID 166301892

IUPAC2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCOc1cc(CN2CCC(NC(=O)C[C@H]3C=C[C@@H](N)C3)C2)cc(OC)c1
InChIInChI=1S/C20H29N3O3/c1-25-18-8-15(9-19(11-18)26-2)12-23-6-5-17(13-23)22-20(24)10-14-3-4-16(21)7-14/h3-4,8-9,11,14,16-17H,5-7,10,12-13,21H2,1-2H3,(H,22,24)/t14-,16+,17?/m0/s1
InChIKeyAUUFALJMWVKDDH-NOYLFRNESA-N
MW359.47 g/mol
LogP1.69
Rot. Bonds7

About 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide

2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 166301892) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID166301892
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCOc1cc(CN2CCC(NC(=O)C[C@H]3C=C[C@@H](N)C3)C2)cc(OC)c1
InChIInChI=1S/C20H29N3O3/c1-25-18-8-15(9-19(11-18)26-2)12-23-6-5-17(13-23)22-20(24)10-14-3-4-16(21)7-14/h3-4,8-9,11,14,16-17H,5-7,10,12-13,21H2,1-2H3,(H,22,24)/t14-,16+,17?/m0/s1
InChIKeyAUUFALJMWVKDDH-NOYLFRNESA-N
XLogP1.69
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119897115
4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide
CID 119897168
1-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-[(1S,2S)-2-methylcyclopropyl]urea
CID 124777389
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 71921942
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119897156
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 167940401
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
N-cyclopropyl-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 78831418
(3S)-1-[(3,5-dimethoxyphenyl)methyl]-N-[(1S)-1-(oxan-4-yl)ethyl]pyrrolidin-3-amine
CID 97233219
2-[[butylamino-[[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110045313
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 139012582

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide (CID 166301892) is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide is COc1cc(CN2CCC(NC(=O)C[C@H]3C=C[C@@H](N)C3)C2)cc(OC)c1.
What is the InChIKey of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is AUUFALJMWVKDDH-NOYLFRNESA-N. The full InChI is InChI=1S/C20H29N3O3/c1-25-18-8-15(9-19(11-18)26-2)12-23-6-5-17(13-23)22-20(24)10-14-3-4-16(21)7-14/h3-4,8-9,11,14,16-17H,5-7,10,12-13,21H2,1-2H3,(H,22,24)/t14-,16+,17?/m0/s1.
What are the key properties of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide?
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166301892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).