N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C20H28N4O3 — CID 132765485

IUPACN-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCn1ccnc1COc1ccc(CN2CCCC2(C)C(=O)NCCO)cc1
InChIInChI=1S/C20H28N4O3/c1-20(19(26)22-10-13-25)8-3-11-24(20)14-16-4-6-17(7-5-16)27-15-18-21-9-12-23(18)2/h4-7,9,12,25H,3,8,10-11,13-15H2,1-2H3,(H,22,26)
InChIKeyQBNPJTNSGWZHKW-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.46
Rot. Bonds8

About N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 132765485) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID132765485
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCn1ccnc1COc1ccc(CN2CCCC2(C)C(=O)NCCO)cc1
InChIInChI=1S/C20H28N4O3/c1-20(19(26)22-10-13-25)8-3-11-24(20)14-16-4-6-17(7-5-16)27-15-18-21-9-12-23(18)2/h4-7,9,12,25H,3,8,10-11,13-15H2,1-2H3,(H,22,26)
InChIKeyQBNPJTNSGWZHKW-UHFFFAOYSA-N
XLogP1.46
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 132765485) is N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is Cn1ccnc1COc1ccc(CN2CCCC2(C)C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QBNPJTNSGWZHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(19(26)22-10-13-25)8-3-11-24(20)14-16-4-6-17(7-5-16)27-15-18-21-9-12-23(18)2/h4-7,9,12,25H,3,8,10-11,13-15H2,1-2H3,(H,22,26).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 132765485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).