N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide

C20H25NO3 — CID 132651239

IUPACN-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-4-19(24-18-8-6-5-7-9-18)20(22)21-16(3)14-23-17-12-10-15(2)11-13-17/h5-13,16,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyLOCSWQOEEKLDOM-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.74
Rot. Bonds8

About N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide

N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide (PubChem CID 132651239) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
PubChem CID132651239
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)COc1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-4-19(24-18-8-6-5-7-9-18)20(22)21-16(3)14-23-17-12-10-15(2)11-13-17/h5-13,16,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyLOCSWQOEEKLDOM-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

N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
CID 9172678
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651227
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065149
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065148
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide (CID 132651239) is N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NC(C)COc1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
The InChIKey is LOCSWQOEEKLDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-19(24-18-8-6-5-7-9-18)20(22)21-16(3)14-23-17-12-10-15(2)11-13-17/h5-13,16,19H,4,14H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide?
N-[1-(4-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-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide is sourced from PubChem (CID 132651239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).