N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide

C14H22N4O2 — CID 102655899

IUPACN-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(C(=O)COC1(C)CNC1)C1CC1
InChIInChI=1S/C14H22N4O2/c1-14(9-15-10-14)20-8-13(19)18(11-3-4-11)7-12-16-5-6-17(12)2/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyQXTHXFSGPNOUQN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.29
Rot. Bonds6

About N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide

N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 102655899) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID102655899
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(C(=O)COC1(C)CNC1)C1CC1
InChIInChI=1S/C14H22N4O2/c1-14(9-15-10-14)20-8-13(19)18(11-3-4-11)7-12-16-5-6-17(12)2/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyQXTHXFSGPNOUQN-UHFFFAOYSA-N
XLogP0.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
4-[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302424
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124755398
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60959154
N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 83071962
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 56915849
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 102655899) is N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CN(C(=O)COC1(C)CNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is QXTHXFSGPNOUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(9-15-10-14)20-8-13(19)18(11-3-4-11)7-12-16-5-6-17(12)2/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide?
N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 102655899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).