N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide

C16H26N2O2 — CID 103959904

IUPACN,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
SMILESCC[C@H](O)c1ccccc1N(C)CC(=O)N(CC)CC
InChIInChI=1S/C16H26N2O2/c1-5-15(19)13-10-8-9-11-14(13)17(4)12-16(20)18(6-2)7-3/h8-11,15,19H,5-7,12H2,1-4H3/t15-/m0/s1
InChIKeyHVZVVGBERIRJRF-HNNXBMFYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds7

About N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide

N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide (PubChem CID 103959904) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
PubChem CID103959904
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
SMILESCC[C@H](O)c1ccccc1N(C)CC(=O)N(CC)CC
InChIInChI=1S/C16H26N2O2/c1-5-15(19)13-10-8-9-11-14(13)17(4)12-16(20)18(6-2)7-3/h8-11,15,19H,5-7,12H2,1-4H3/t15-/m0/s1
InChIKeyHVZVVGBERIRJRF-HNNXBMFYSA-N
XLogP2.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
N,N-diethyl-2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 63371189
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
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
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide (CID 103959904) is N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide is CC[C@H](O)c1ccccc1N(C)CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide?
The InChIKey is HVZVVGBERIRJRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-15(19)13-10-8-9-11-14(13)17(4)12-16(20)18(6-2)7-3/h8-11,15,19H,5-7,12H2,1-4H3/t15-/m0/s1.
What are the key properties of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide?
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide is sourced from PubChem (CID 103959904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).