(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide

C21H27NO3 — CID 28575504

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-6-19(25-20-12-7-9-15(4)16(20)5)21(23)22-17-10-8-11-18(13-17)24-14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23)/t19-/m0/s1
InChIKeyGGXOFASABKXHBQ-IBGZPJMESA-N
MW341.45 g/mol
LogP4.89
Rot. Bonds7

About (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide (PubChem CID 28575504) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
PubChem CID28575504
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-6-19(25-20-12-7-9-15(4)16(20)5)21(23)22-17-10-8-11-18(13-17)24-14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23)/t19-/m0/s1
InChIKeyGGXOFASABKXHBQ-IBGZPJMESA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide (CID 28575504) is (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The InChIKey is GGXOFASABKXHBQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-19(25-20-12-7-9-15(4)16(20)5)21(23)22-17-10-8-11-18(13-17)24-14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 28575504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).