(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide

C18H26ClNO3 — CID 94669671

IUPAC(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H26ClNO3/c1-3-16(23-4-2)17(21)20-13-18(8-10-22-11-9-18)14-6-5-7-15(19)12-14/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyMSXTUWSQBUHNQR-INIZCTEOSA-N
MW339.86 g/mol
LogP3.32
Rot. Bonds7

About (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide

(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide (PubChem CID 94669671) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
PubChem CID94669671
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C18H26ClNO3/c1-3-16(23-4-2)17(21)20-13-18(8-10-22-11-9-18)14-6-5-7-15(19)12-14/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyMSXTUWSQBUHNQR-INIZCTEOSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
CID 52737970
2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133160705
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide
CID 56581235
tert-butyl N-[2-[[N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884190

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide?
The IUPAC name of (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide (CID 94669671) is (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide.
What is the SMILES notation for (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide?
The canonical SMILES for (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide is CCO[C@@H](CC)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide?
The InChIKey is MSXTUWSQBUHNQR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-3-16(23-4-2)17(21)20-13-18(8-10-22-11-9-18)14-6-5-7-15(19)12-14/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide?
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide has a molecular weight of 339.86 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide is sourced from PubChem (CID 94669671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).