methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate

C17H19N3O3 — CID 71973763

IUPACmethyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C1CC1
InChIInChI=1S/C17H19N3O3/c1-23-16(21)10-15(12-2-3-12)19-17(22)13-4-6-14(7-5-13)20-9-8-18-11-20/h4-9,11-12,15H,2-3,10H2,1H3,(H,19,22)
InChIKeyMFBVRSNIFZBZPT-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.94
Rot. Bonds6

About methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate

methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate (PubChem CID 71973763) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate
PubChem CID71973763
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C1CC1
InChIInChI=1S/C17H19N3O3/c1-23-16(21)10-15(12-2-3-12)19-17(22)13-4-6-14(7-5-13)20-9-8-18-11-20/h4-9,11-12,15H,2-3,10H2,1H3,(H,19,22)
InChIKeyMFBVRSNIFZBZPT-UHFFFAOYSA-N
XLogP1.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 31533072
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4-imidazol-1-yl-N-(methoxyiminomethyl)benzamide
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4-imidazol-1-yl-N-piperidin-4-ylbenzamide
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4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
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4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
CID 84589934
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
methyl (3R)-3-cyclopropyl-3-(isoquinoline-1-carbonylamino)propanoate
CID 97030150
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate?
The IUPAC name of methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate (CID 71973763) is methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate is COC(=O)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate?
The InChIKey is MFBVRSNIFZBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-16(21)10-15(12-2-3-12)19-17(22)13-4-6-14(7-5-13)20-9-8-18-11-20/h4-9,11-12,15H,2-3,10H2,1H3,(H,19,22).
What are the key properties of methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate?
methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate has a molecular weight of 313.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 71973763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).