N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide

C17H23N5O3 — CID 72895830

IUPACN-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
SMILESCCC(Cn1ccnc1)NC(=O)Nc1cccc(NC(=O)COC)c1
InChIInChI=1S/C17H23N5O3/c1-3-13(10-22-8-7-18-12-22)20-17(24)21-15-6-4-5-14(9-15)19-16(23)11-25-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyYXIQWDXPYYPDBE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.07
Rot. Bonds8

About N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide

N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide (PubChem CID 72895830) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
PubChem CID72895830
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
SMILESCCC(Cn1ccnc1)NC(=O)Nc1cccc(NC(=O)COC)c1
InChIInChI=1S/C17H23N5O3/c1-3-13(10-22-8-7-18-12-22)20-17(24)21-15-6-4-5-14(9-15)19-16(23)11-25-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyYXIQWDXPYYPDBE-UHFFFAOYSA-N
XLogP2.07
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea
CID 97455536
1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
CID 97284208
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
CID 97446086
N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 94610417
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide (CID 72895830) is N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide is CCC(Cn1ccnc1)NC(=O)Nc1cccc(NC(=O)COC)c1.
What is the InChIKey of N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide?
The InChIKey is YXIQWDXPYYPDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-13(10-22-8-7-18-12-22)20-17(24)21-15-6-4-5-14(9-15)19-16(23)11-25-2/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,23)(H2,20,21,24).
What are the key properties of N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide?
N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide has a molecular weight of 345.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 72895830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).