N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide

C19H24N4O2 — CID 163351639

IUPACN-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CC(Cn3ccnc3C(C)C)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)18-20-8-9-22(18)10-15-11-23(12-15)19(25)16-4-6-17(7-5-16)21-14(3)24/h4-9,13,15H,10-12H2,1-3H3,(H,21,24)
InChIKeyOXRCKCXCMLZUPR-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.74
Rot. Bonds5

About N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide

N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide (PubChem CID 163351639) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
PubChem CID163351639
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CC(Cn3ccnc3C(C)C)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)18-20-8-9-22(18)10-15-11-23(12-15)19(25)16-4-6-17(7-5-16)21-14(3)24/h4-9,13,15H,10-12H2,1-3H3,(H,21,24)
InChIKeyOXRCKCXCMLZUPR-UHFFFAOYSA-N
XLogP2.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfanylphenyl)-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]methanone
CID 163353374
[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
CID 163351656
3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]benzonitrile
CID 163353351
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492826
(4-piperidin-1-ylsulfonylphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492906
2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
CID 116680919
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90494205
N-(4-nitrophenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494209
N-(1,3-benzodioxol-5-yl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494305

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide (CID 163351639) is N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CC(Cn3ccnc3C(C)C)C2)cc1.
What is the InChIKey of N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
The InChIKey is OXRCKCXCMLZUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)18-20-8-9-22(18)10-15-11-23(12-15)19(25)16-4-6-17(7-5-16)21-14(3)24/h4-9,13,15H,10-12H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide?
N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 163351639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).