2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide

C14H22N2O2 — CID 63371318

IUPAC2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H22N2O2/c1-4-9-15-14(18)10-16(3)13-8-6-5-7-12(13)11(2)17/h5-8,11,17H,4,9-10H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyJXQGXENPGMMPGG-NSHDSACASA-N
MW250.34 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide

2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide (PubChem CID 63371318) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
PubChem CID63371318
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H22N2O2/c1-4-9-15-14(18)10-16(3)13-8-6-5-7-12(13)11(2)17/h5-8,11,17H,4,9-10H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyJXQGXENPGMMPGG-NSHDSACASA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 78940287
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
N-cyclopropyl-2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 78940669
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propylacetamide
CID 55133240
methyl 2-amino-3-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 115545185
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 82970493
2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
CID 83131702
2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide
CID 81214576
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide (CID 63371318) is 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide is CCCNC(=O)CN(C)c1ccccc1[C@H](C)O.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
The InChIKey is JXQGXENPGMMPGG-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-15-14(18)10-16(3)13-8-6-5-7-12(13)11(2)17/h5-8,11,17H,4,9-10H2,1-3H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide?
2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide is sourced from PubChem (CID 63371318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).