3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide

C15H24N2O2 — CID 106916440

IUPAC3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCCC(O)c1ccccc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C15H24N2O2/c1-5-14(18)12-8-6-7-9-13(12)17(4)10-11(2)15(19)16-3/h6-9,11,14,18H,5,10H2,1-4H3,(H,16,19)
InChIKeyMAUQIOPXZCCLTL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds6

About 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide

3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide (PubChem CID 106916440) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
PubChem CID106916440
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCCC(O)c1ccccc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C15H24N2O2/c1-5-14(18)12-8-6-7-9-13(12)17(4)10-11(2)15(19)16-3/h6-9,11,14,18H,5,10H2,1-4H3,(H,16,19)
InChIKeyMAUQIOPXZCCLTL-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916443
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 114056297
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
CID 103959904
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
3-[2-chloro-4-(hydroxymethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916419

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide (CID 106916440) is 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide is CCC(O)c1ccccc1N(C)CC(C)C(=O)NC.
What is the InChIKey of 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide?
The InChIKey is MAUQIOPXZCCLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-14(18)12-8-6-7-9-13(12)17(4)10-11(2)15(19)16-3/h6-9,11,14,18H,5,10H2,1-4H3,(H,16,19).
What are the key properties of 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide?
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).