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

C18H22N4O3 — CID 86998698

IUPAC1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-10-3-4-16(22)18(24)20-14-5-7-15(8-6-14)25-12-17-19-9-11-21(17)2/h5-9,11,16H,3-4,10,12H2,1-2H3,(H,20,24)
InChIKeyXANAAMRCHYHBBZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.95
Rot. Bonds5

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

1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 86998698) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID86998698
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-10-3-4-16(22)18(24)20-14-5-7-15(8-6-14)25-12-17-19-9-11-21(17)2/h5-9,11,16H,3-4,10,12H2,1-2H3,(H,20,24)
InChIKeyXANAAMRCHYHBBZ-UHFFFAOYSA-N
XLogP1.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 94518565
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide
CID 119858998
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119858947
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
N-cyclohexyl-N-methyl-4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzamide
CID 55920263
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide (CID 86998698) is 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1ccc(OCc2nccn2C)cc1.
What is the InChIKey of 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XANAAMRCHYHBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)22-10-3-4-16(22)18(24)20-14-5-7-15(8-6-14)25-12-17-19-9-11-21(17)2/h5-9,11,16H,3-4,10,12H2,1-2H3,(H,20,24).
What are the key properties of 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86998698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).