(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

C21H26ClNO3 — CID 99133250

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H26ClNO3/c1-5-20(26-18-10-11-19(22)15(4)12-18)21(24)23-13-16-6-8-17(9-7-16)25-14(2)3/h6-12,14,20H,5,13H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyUSZDLLYNZHWVLF-HXUWFJFHSA-N
MW375.90 g/mol
LogP4.91
Rot. Bonds8

About (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 99133250) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID99133250
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H26ClNO3/c1-5-20(26-18-10-11-19(22)15(4)12-18)21(24)23-13-16-6-8-17(9-7-16)25-14(2)3/h6-12,14,20H,5,13H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyUSZDLLYNZHWVLF-HXUWFJFHSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide with MolForge

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663080
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (CID 99133250) is (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is USZDLLYNZHWVLF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-5-20(26-18-10-11-19(22)15(4)12-18)21(24)23-13-16-6-8-17(9-7-16)25-14(2)3/h6-12,14,20H,5,13H2,1-4H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 375.90 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 99133250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).