N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide

C14H21NO3 — CID 112548211

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)N(C)C(C)CO)cc1
InChIInChI=1S/C14H21NO3/c1-11-4-6-13(7-5-11)18-9-8-14(17)15(3)12(2)10-16/h4-7,12,16H,8-10H2,1-3H3
InChIKeyYGZPBAMUIXVACN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide

N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide (PubChem CID 112548211) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
PubChem CID112548211
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)N(C)C(C)CO)cc1
InChIInChI=1S/C14H21NO3/c1-11-4-6-13(7-5-11)18-9-8-14(17)15(3)12(2)10-16/h4-7,12,16H,8-10H2,1-3H3
InChIKeyYGZPBAMUIXVACN-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62827385
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
1-hydroxy-4-(4-methylphenoxy)butan-2-one
CID 95437360
methyl 2-[3-(4-methylphenoxy)propanoyl-propan-2-ylamino]acetate
CID 60779371
N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide
CID 115770978
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 112704729

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide (CID 112548211) is N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)N(C)C(C)CO)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide?
The InChIKey is YGZPBAMUIXVACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-4-6-13(7-5-11)18-9-8-14(17)15(3)12(2)10-16/h4-7,12,16H,8-10H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide?
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 112548211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).