2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide

C20H27N3O2 — CID 111430663

IUPAC2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C20H27N3O2/c1-15(2)19-21-10-11-23(19)14-16-6-5-7-17(12-16)22-18(24)13-20(25)8-3-4-9-20/h5-7,10-12,15,25H,3-4,8-9,13-14H2,1-2H3,(H,22,24)
InChIKeyQXAVDNBXKGQBAX-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.69
Rot. Bonds6

About 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide

2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 111430663) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
PubChem CID111430663
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C20H27N3O2/c1-15(2)19-21-10-11-23(19)14-16-6-5-7-17(12-16)22-18(24)13-20(25)8-3-4-9-20/h5-7,10-12,15,25H,3-4,8-9,13-14H2,1-2H3,(H,22,24)
InChIKeyQXAVDNBXKGQBAX-UHFFFAOYSA-N
XLogP3.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
(3aS,6aR)-2-[[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122076565
1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 146087815
2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide (CID 111430663) is 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide is CC(C)c1nccn1Cc1cccc(NC(=O)CC2(O)CCCC2)c1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is QXAVDNBXKGQBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)19-21-10-11-23(19)14-16-6-5-7-17(12-16)22-18(24)13-20(25)8-3-4-9-20/h5-7,10-12,15,25H,3-4,8-9,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 111430663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).