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

C14H22N2O2 — CID 104696391

IUPAC2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(C)C(C)CO)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-4-6-13(7-10)16-14(18)8-15-12(3)11(2)9-17/h4-7,11-12,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyTYGXJBFJAWHZDV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds6

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

2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 104696391) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
PubChem CID104696391
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(C)C(C)CO)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-4-6-13(7-10)16-14(18)8-15-12(3)11(2)9-17/h4-7,11-12,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyTYGXJBFJAWHZDV-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 106160802
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide (CID 104696391) is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNC(C)C(C)CO)c1.
What is the InChIKey of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is TYGXJBFJAWHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-4-6-13(7-10)16-14(18)8-15-12(3)11(2)9-17/h4-7,11-12,15,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide?
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 104696391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).