N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C18H24N4O3 — CID 131931084

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C(C)n2ccnc2C(C)C)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)17-19-9-10-22(17)13(3)18(24)21-15-7-5-14(6-8-15)20-16(23)11-25-4/h5-10,12-13H,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyNCJFVZKPXLUKHC-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.79
Rot. Bonds7

About N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 131931084) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID131931084
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C(C)n2ccnc2C(C)C)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)17-19-9-10-22(17)13(3)18(24)21-15-7-5-14(6-8-15)20-16(23)11-25-4/h5-10,12-13H,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyNCJFVZKPXLUKHC-UHFFFAOYSA-N
XLogP2.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
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(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97279364
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72934835
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
2-(2-propan-2-ylimidazol-1-yl)-N-(2-propan-2-yltriazol-4-yl)propanamide
CID 156585598
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
2-methoxy-N-(4-pyridin-2-ylphenyl)acetamide
CID 110460506
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 131931084) is N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is COCC(=O)Nc1ccc(NC(=O)C(C)n2ccnc2C(C)C)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is NCJFVZKPXLUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)17-19-9-10-22(17)13(3)18(24)21-15-7-5-14(6-8-15)20-16(23)11-25-4/h5-10,12-13H,11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 131931084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).