2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

C23H28ClNO3 — CID 133160705

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H28ClNO3/c1-3-21(28-19-9-10-20(24)17(2)15-19)22(26)25-16-23(11-13-27-14-12-23)18-7-5-4-6-8-18/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,25,26)
InChIKeyZOJFOEFGDXKSIA-UHFFFAOYSA-N
MW401.93 g/mol
LogP4.67
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (PubChem CID 133160705) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
PubChem CID133160705
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H28ClNO3/c1-3-21(28-19-9-10-20(24)17(2)15-19)22(26)25-16-23(11-13-27-14-12-23)18-7-5-4-6-8-18/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,25,26)
InChIKeyZOJFOEFGDXKSIA-UHFFFAOYSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100751316
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 99133130
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
(2S)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100745119

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (CID 133160705) is 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The InChIKey is ZOJFOEFGDXKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c1-3-21(28-19-9-10-20(24)17(2)15-19)22(26)25-16-23(11-13-27-14-12-23)18-7-5-4-6-8-18/h4-10,15,21H,3,11-14,16H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide has a molecular weight of 401.93 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 133160705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).