N-butan-2-yl-2-(4-methylphenoxy)propanamide

C14H21NO2 — CID 42909893

IUPACN-butan-2-yl-2-(4-methylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(3)15-14(16)12(4)17-13-8-6-10(2)7-9-13/h6-9,11-12H,5H2,1-4H3,(H,15,16)
InChIKeyAORSHQLOSLDSTP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds5

About N-butan-2-yl-2-(4-methylphenoxy)propanamide

N-butan-2-yl-2-(4-methylphenoxy)propanamide (PubChem CID 42909893) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methylphenoxy)propanamide
PubChem CID42909893
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-butan-2-yl-2-(4-methylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(3)15-14(16)12(4)17-13-8-6-10(2)7-9-13/h6-9,11-12H,5H2,1-4H3,(H,15,16)
InChIKeyAORSHQLOSLDSTP-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718348
2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
CID 43387334
N-butan-2-yl-2-(4-formylphenoxy)propanamide
CID 43117148
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43630623
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-methylphenoxy)propanamide (CID 42909893) is N-butan-2-yl-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-methylphenoxy)propanamide is CCC(C)NC(=O)C(C)Oc1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-methylphenoxy)propanamide?
The InChIKey is AORSHQLOSLDSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(3)15-14(16)12(4)17-13-8-6-10(2)7-9-13/h6-9,11-12H,5H2,1-4H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-(4-methylphenoxy)propanamide?
N-butan-2-yl-2-(4-methylphenoxy)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 42909893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).