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

C20H25NO4 — CID 132652458

IUPACN-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)COc1ccc(OC)cc1
InChIInChI=1S/C20H25NO4/c1-4-19(25-18-8-6-5-7-9-18)20(22)21-15(2)14-24-17-12-10-16(23-3)11-13-17/h5-13,15,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyDOBJCKMNODVULX-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.44
Rot. Bonds9

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

N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide (PubChem CID 132652458) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
PubChem CID132652458
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)COc1ccc(OC)cc1
InChIInChI=1S/C20H25NO4/c1-4-19(25-18-8-6-5-7-9-18)20(22)21-15(2)14-24-17-12-10-16(23-3)11-13-17/h5-13,15,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyDOBJCKMNODVULX-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100527759
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651227
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide?
The IUPAC name of N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide (CID 132652458) is N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide.
What is the SMILES notation for N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide?
The canonical SMILES for N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NC(C)COc1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide?
The InChIKey is DOBJCKMNODVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-19(25-18-8-6-5-7-9-18)20(22)21-15(2)14-24-17-12-10-16(23-3)11-13-17/h5-13,15,19H,4,14H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide?
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide has a molecular weight of 343.42 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide is sourced from PubChem (CID 132652458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).