4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide

C18H28N2O3 — CID 110026465

IUPAC4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(NC(=O)C(C)C(C)CC)cc1
InChIInChI=1S/C18H28N2O3/c1-5-12(3)13(4)17(22)20-16-9-7-14(8-10-16)18(23)19-15(6-2)11-21/h7-10,12-13,15,21H,5-6,11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyWFAFHTGMRQYUFL-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.81
Rot. Bonds8

About 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide

4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 110026465) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID110026465
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(NC(=O)C(C)C(C)CC)cc1
InChIInChI=1S/C18H28N2O3/c1-5-12(3)13(4)17(22)20-16-9-7-14(8-10-16)18(23)19-15(6-2)11-21/h7-10,12-13,15,21H,5-6,11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyWFAFHTGMRQYUFL-UHFFFAOYSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
CID 110025985
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
4-[[(Z)-2,3-dimethylpent-2-enoyl]amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 110026464
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
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
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
3-[4-(2,3-dimethylpentanoylamino)phenyl]-2-methylpropanoic acid
CID 120541285

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide (CID 110026465) is 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1ccc(NC(=O)C(C)C(C)CC)cc1.
What is the InChIKey of 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is WFAFHTGMRQYUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-12(3)13(4)17(22)20-16-9-7-14(8-10-16)18(23)19-15(6-2)11-21/h7-10,12-13,15,21H,5-6,11H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide?
4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpentanoylamino)-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 110026465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).