N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide

C20H25NO3 — CID 132651227

IUPACN-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-4-18(24-17-11-6-5-7-12-17)20(22)21-16(3)14-23-19-13-9-8-10-15(19)2/h5-13,16,18H,4,14H2,1-3H3,(H,21,22)
InChIKeyARCIFOVZVHZVET-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.74
Rot. Bonds8

About N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide

N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide (PubChem CID 132651227) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
PubChem CID132651227
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-4-18(24-17-11-6-5-7-12-17)20(22)21-16(3)14-23-19-13-9-8-10-15(19)2/h5-13,16,18H,4,14H2,1-3H3,(H,21,22)
InChIKeyARCIFOVZVHZVET-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-phenoxypropanamide
CID 94623488
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
(2R)-2-(4-methoxyphenoxy)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95161887
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
2-(3-chlorophenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652826
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
CID 9172678
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
The IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide (CID 132651227) is N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide.
What is the SMILES notation for N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
The canonical SMILES for N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NC(C)COc1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
The InChIKey is ARCIFOVZVHZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-18(24-17-11-6-5-7-12-17)20(22)21-16(3)14-23-19-13-9-8-10-15(19)2/h5-13,16,18H,4,14H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide has a molecular weight of 327.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide is sourced from PubChem (CID 132651227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).