3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide

C17H24ClNO3 — CID 109478662

IUPAC3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide
SMILESCC(Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCOC1
InChIInChI=1S/C17H24ClNO3/c1-13(9-14-3-2-4-15(18)10-14)16(21)19-11-17(5-7-20)6-8-22-12-17/h2-4,10,13,20H,5-9,11-12H2,1H3,(H,19,21)
InChIKeyKAAJSSRBWFLENK-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.42
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide

3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide (PubChem CID 109478662) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide
PubChem CID109478662
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide
SMILESCC(Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCOC1
InChIInChI=1S/C17H24ClNO3/c1-13(9-14-3-2-4-15(18)10-14)16(21)19-11-17(5-7-20)6-8-22-12-17/h2-4,10,13,20H,5-9,11-12H2,1H3,(H,19,21)
InChIKeyKAAJSSRBWFLENK-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide
CID 97244080
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
CID 109480246
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 109478503
4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid
CID 141007973
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide
CID 97066205

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide (CID 109478662) is 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide is CC(Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCOC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide?
The InChIKey is KAAJSSRBWFLENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-13(9-14-3-2-4-15(18)10-14)16(21)19-11-17(5-7-20)6-8-22-12-17/h2-4,10,13,20H,5-9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide?
3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide has a molecular weight of 325.84 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 109478662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).