3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide

C18H23N5O2 — CID 119034753

IUPAC3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NC(C)c2ccc(-n3ccnc3C)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-12(20-18(25)22-10-16(11-22)21-14(3)24)15-4-6-17(7-5-15)23-9-8-19-13(23)2/h4-9,12,16H,10-11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZKZLCINAURPYAN-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.77
Rot. Bonds4

About 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide

3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide (PubChem CID 119034753) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
PubChem CID119034753
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)NC(C)c2ccc(-n3ccnc3C)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-12(20-18(25)22-10-16(11-22)21-14(3)24)15-4-6-17(7-5-15)23-9-8-19-13(23)2/h4-9,12,16H,10-11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZKZLCINAURPYAN-UHFFFAOYSA-N
XLogP1.77
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
CID 71857227
3-acetamido-N-[1-(3,4-dichlorophenyl)ethyl]azetidine-1-carboxamide
CID 119034743
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897640
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
CID 99717701
1-[2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 126671739
2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid
CID 122042199
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide
CID 95120692
(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 97103415
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide (CID 119034753) is 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide is CC(=O)NC1CN(C(=O)NC(C)c2ccc(-n3ccnc3C)cc2)C1.
What is the InChIKey of 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide?
The InChIKey is ZKZLCINAURPYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(20-18(25)22-10-16(11-22)21-14(3)24)15-4-6-17(7-5-15)23-9-8-19-13(23)2/h4-9,12,16H,10-11H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide?
3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 119034753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).