4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide

C15H23N3O3 — CID 106176497

IUPAC4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(CCO)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H23N3O3/c1-3-15(2,8-9-19)18-13(20)10-17-14(21)11-4-6-12(16)7-5-11/h4-7,19H,3,8-10,16H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyASUMVDLTFMIYIR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.67
Rot. Bonds7

About 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 106176497) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID106176497
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(CCO)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H23N3O3/c1-3-15(2,8-9-19)18-13(20)10-17-14(21)11-4-6-12(16)7-5-11/h4-7,19H,3,8-10,16H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyASUMVDLTFMIYIR-UHFFFAOYSA-N
XLogP0.67
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 64557985
4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
CID 106096432
N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709146
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide (CID 106176497) is 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide is CCC(C)(CCO)NC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is ASUMVDLTFMIYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-15(2,8-9-19)18-13(20)10-17-14(21)11-4-6-12(16)7-5-11/h4-7,19H,3,8-10,16H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 293.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 106176497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).