(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

C20H25NO3 — CID 99132965

IUPAC(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H25NO3/c1-4-19(24-17-10-6-5-7-11-17)20(22)21-14-16-9-8-12-18(13-16)23-15(2)3/h5-13,15,19H,4,14H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyWQOQAPWGRTVMNY-IBGZPJMESA-N
MW327.42 g/mol
LogP3.95
Rot. Bonds8

About (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 99132965) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID99132965
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H25NO3/c1-4-19(24-17-10-6-5-7-11-17)20(22)21-14-16-9-8-12-18(13-16)23-15(2)3/h5-13,15,19H,4,14H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyWQOQAPWGRTVMNY-IBGZPJMESA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99133296
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132312
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (CID 99132965) is (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is CC[C@H](Oc1ccccc1)C(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is WQOQAPWGRTVMNY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-19(24-17-10-6-5-7-11-17)20(22)21-14-16-9-8-12-18(13-16)23-15(2)3/h5-13,15,19H,4,14H2,1-3H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 99132965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).