2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide

C16H20N4O2 — CID 71857227

IUPAC2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C16H20N4O2/c1-11(19-16(22)10-18-13(3)21)14-4-6-15(7-5-14)20-9-8-17-12(20)2/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBLPHTCMIKWEXOM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.49
Rot. Bonds5

About 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide

2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 71857227) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
PubChem CID71857227
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C16H20N4O2/c1-11(19-16(22)10-18-13(3)21)14-4-6-15(7-5-14)20-9-8-17-12(20)2/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBLPHTCMIKWEXOM-UHFFFAOYSA-N
XLogP1.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
CID 119034753
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
CID 99717701
(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
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897640
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97009303
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;tert-butyl N-[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]carbamate;2-methyl-1H-imidazole
CID 159100991

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide (CID 71857227) is 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide is CC(=O)NCC(=O)NC(C)c1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is BLPHTCMIKWEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(19-16(22)10-18-13(3)21)14-4-6-15(7-5-14)20-9-8-17-12(20)2/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide?
2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 71857227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).