(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide

C17H24ClNO2 — CID 94643933

IUPAC(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C17H24ClNO2/c1-3-13(2)16(20)19-12-17(7-9-21-10-8-17)14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyABFITJQGCPKSNL-CYBMUJFWSA-N
MW309.84 g/mol
LogP3.55
Rot. Bonds5

About (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide

(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide (PubChem CID 94643933) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
PubChem CID94643933
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C17H24ClNO2/c1-3-13(2)16(20)19-12-17(7-9-21-10-8-17)14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyABFITJQGCPKSNL-CYBMUJFWSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119738802
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide (CID 94643933) is (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide is CC[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide?
The InChIKey is ABFITJQGCPKSNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-13(2)16(20)19-12-17(7-9-21-10-8-17)14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide?
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide has a molecular weight of 309.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide is sourced from PubChem (CID 94643933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).