N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide

C14H22N2O2 — CID 81412241

IUPACN-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(C)(C)CO)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(16-11(2)18)7-13(10)15-8-14(3,4)9-17/h5-7,15,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyAYSWAMAZAPWZFC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds5

About N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide

N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide (PubChem CID 81412241) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide
PubChem CID81412241
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(C)(C)CO)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(16-11(2)18)7-13(10)15-8-14(3,4)9-17/h5-7,15,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyAYSWAMAZAPWZFC-UHFFFAOYSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide
CID 64684853
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
N-(5-acetamido-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950028
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
CID 43739518
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylbenzoic acid
CID 115363246
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide (CID 81412241) is N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCC(C)(C)CO)c1.
What is the InChIKey of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide?
The InChIKey is AYSWAMAZAPWZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-6-12(16-11(2)18)7-13(10)15-8-14(3,4)9-17/h5-7,15,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide?
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 81412241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).