2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide

C20H25NO2 — CID 17328056

IUPAC2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC(CC)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-17(16-12-7-6-8-13-16)21-20(22)18(5-2)23-19-14-10-9-11-15(19)3/h6-14,17-18H,4-5H2,1-3H3,(H,21,22)
InChIKeyKPRXFHBRVCRRKF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.42
Rot. Bonds7

About 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide

2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide (PubChem CID 17328056) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
PubChem CID17328056
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC(CC)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-17(16-12-7-6-8-13-16)21-20(22)18(5-2)23-19-14-10-9-11-15(19)3/h6-14,17-18H,4-5H2,1-3H3,(H,21,22)
InChIKeyKPRXFHBRVCRRKF-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
CID 30383764
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide (CID 17328056) is 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide is CCC(Oc1ccccc1C)C(=O)NC(CC)c1ccccc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide?
The InChIKey is KPRXFHBRVCRRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-17(16-12-7-6-8-13-16)21-20(22)18(5-2)23-19-14-10-9-11-15(19)3/h6-14,17-18H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide?
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide is sourced from PubChem (CID 17328056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).