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

C21H31N3O2 — CID 59401860

IUPACN-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C21H31N3O2/c1-15-13-17(7-8-19(15)22-21(25)20-6-4-12-26-20)23-11-9-18(14-23)24-10-3-5-16(24)2/h7-8,13,16,18,20H,3-6,9-12,14H2,1-2H3,(H,22,25)/t16-,18-,20?/m0/s1
InChIKeyBSAKAGUSLYMSNM-WWKKGYIRSA-N
MW357.50 g/mol
LogP3.18
Rot. Bonds4

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

N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide (PubChem CID 59401860) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
PubChem CID59401860
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCO1
InChIInChI=1S/C21H31N3O2/c1-15-13-17(7-8-19(15)22-21(25)20-6-4-12-26-20)23-11-9-18(14-23)24-10-3-5-16(24)2/h7-8,13,16,18,20H,3-6,9-12,14H2,1-2H3,(H,22,25)/t16-,18-,20?/m0/s1
InChIKeyBSAKAGUSLYMSNM-WWKKGYIRSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxane-4-carboxamide
CID 25265516
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxane-4-carboxamide
CID 25264945
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxane-4-carboxamide
CID 25264946
N-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxane-4-carboxamide
CID 66680743
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
CID 72274301
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
CID 72547218
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide
CID 72547466
N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)tetrahydrofuran-2-carboxamide
CID 667133
N-(2,3-dimethylphenyl)-2-[4-(oxolan-2-ylcarbonyl)piperazinyl]acetamide
CID 6466024
N-cyclohexyl-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)tetrahydrofuran-2-carboxamide
CID 665101
N-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]tetrahydrofuran-2-carboxamide
CID 665113
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 25162649

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide (CID 59401860) is N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide is Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCO1.
What is the InChIKey of N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is BSAKAGUSLYMSNM-WWKKGYIRSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-13-17(7-8-19(15)22-21(25)20-6-4-12-26-20)23-11-9-18(14-23)24-10-3-5-16(24)2/h7-8,13,16,18,20H,3-6,9-12,14H2,1-2H3,(H,22,25)/t16-,18-,20?/m0/s1.
What are the key properties of N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide?
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 59401860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).