2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide

C15H24N2O2 — CID 104696173

IUPAC2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(CCO)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)14(8-9-18)16-10-15(19)17-13-6-4-12(3)5-7-13/h4-7,11,14,16,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyKNAFLMQAYONCCG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds7

About 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide

2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 104696173) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
PubChem CID104696173
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(CCO)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)14(8-9-18)16-10-15(19)17-13-6-4-12(3)5-7-13/h4-7,11,14,16,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyKNAFLMQAYONCCG-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954667
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951
N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
CID 103949825
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 104892113
2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
CID 43389753
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 104891892
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
CID 95128017
N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656
N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159602
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide (CID 104696173) is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNC(CCO)C(C)C)cc1.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is KNAFLMQAYONCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)14(8-9-18)16-10-15(19)17-13-6-4-12(3)5-7-13/h4-7,11,14,16,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide?
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 104696173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).