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

C16H24N2O3 — CID 103941024

IUPACN-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)C(CCO)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)13(9-10-19)18-14(20)11-17-15(21)12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyYKRIXLAGBZGLKN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.33
Rot. Bonds6

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

N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 103941024) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID103941024
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)C(CCO)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)13(9-10-19)18-14(20)11-17-15(21)12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyYKRIXLAGBZGLKN-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 97260201
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoic acid
CID 11054996
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
CID 61262989
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 106353047
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
CID 65191645

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide (CID 103941024) is N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide is CC(C)(C)C(CCO)NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is YKRIXLAGBZGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)13(9-10-19)18-14(20)11-17-15(21)12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide?
N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 103941024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).