4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide

C18H26N2O3 — CID 110026464

IUPAC4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCC/C(C)=C(/C)C(=O)Nc1ccc(C(=O)NC(CC)CO)cc1
InChIInChI=1S/C18H26N2O3/c1-5-12(3)13(4)17(22)20-16-9-7-14(8-10-16)18(23)19-15(6-2)11-21/h7-10,15,21H,5-6,11H2,1-4H3,(H,19,23)(H,20,22)/b13-12-
InChIKeyIIJGFKHWXJWMIP-SEYXRHQNSA-N
MW318.42 g/mol
LogP2.87
Rot. Bonds7

About 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide

4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 110026464) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID110026464
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCC/C(C)=C(/C)C(=O)Nc1ccc(C(=O)NC(CC)CO)cc1
InChIInChI=1S/C18H26N2O3/c1-5-12(3)13(4)17(22)20-16-9-7-14(8-10-16)18(23)19-15(6-2)11-21/h7-10,15,21H,5-6,11H2,1-4H3,(H,19,23)(H,20,22)/b13-12-
InChIKeyIIJGFKHWXJWMIP-SEYXRHQNSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide
CID 110026465
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
CID 51471886
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide (CID 110026464) is 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide is CC/C(C)=C(/C)C(=O)Nc1ccc(C(=O)NC(CC)CO)cc1.
What is the InChIKey of 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is IIJGFKHWXJWMIP-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-12(3)13(4)17(22)20-16-9-7-14(8-10-16)18(23)19-15(6-2)11-21/h7-10,15,21H,5-6,11H2,1-4H3,(H,19,23)(H,20,22)/b13-12-.
What are the key properties of 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide?
4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 110026464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).