2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide

C23H35N3O — CID 25265380

IUPAC2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
SMILESCc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)CC1CCCC1
InChIInChI=1S/C23H35N3O/c1-17-14-20(25-13-11-21(16-25)26-12-5-6-18(26)2)9-10-22(17)24-23(27)15-19-7-3-4-8-19/h9-10,14,18-19,21H,3-8,11-13,15-16H2,1-2H3,(H,24,27)/t18-,21-/m0/s1
InChIKeyDKVILNAQMBVZGF-RXVVDRJESA-N
MW369.55 g/mol
LogP4.58
Rot. Bonds5

About 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide

2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide (PubChem CID 25265380) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
PubChem CID25265380
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
SMILESCc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)CC1CCCC1
InChIInChI=1S/C23H35N3O/c1-17-14-20(25-13-11-21(16-25)26-12-5-6-18(26)2)9-10-22(17)24-23(27)15-19-7-3-4-8-19/h9-10,14,18-19,21H,3-8,11-13,15-16H2,1-2H3,(H,24,27)/t18-,21-/m0/s1
InChIKeyDKVILNAQMBVZGF-RXVVDRJESA-N
XLogP4.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide (CID 25265380) is 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide is Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is DKVILNAQMBVZGF-RXVVDRJESA-N. The full InChI is InChI=1S/C23H35N3O/c1-17-14-20(25-13-11-21(16-25)26-12-5-6-18(26)2)9-10-22(17)24-23(27)15-19-7-3-4-8-19/h9-10,14,18-19,21H,3-8,11-13,15-16H2,1-2H3,(H,24,27)/t18-,21-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide?
2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 369.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 25265380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).