N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide

C21H27NO2 — CID 43905153

IUPACN-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-9-18-11-13-19(14-12-18)22-21(23)17(4)24-20-10-7-8-15(2)16(20)3/h7-8,10-14,17H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyMADPFLWORXYLJD-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.05
Rot. Bonds7

About N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide

N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 43905153) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
PubChem CID43905153
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-9-18-11-13-19(14-12-18)22-21(23)17(4)24-20-10-7-8-15(2)16(20)3/h7-8,10-14,17H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyMADPFLWORXYLJD-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 99956563
(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28957353
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
CID 53266516
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
hexyl 4-[2-(2,3-dimethylphenoxy)propanoylamino]benzoate
CID 53266719
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 16793312
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide (CID 43905153) is N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide is CCCCc1ccc(NC(=O)C(C)Oc2cccc(C)c2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is MADPFLWORXYLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-6-9-18-11-13-19(14-12-18)22-21(23)17(4)24-20-10-7-8-15(2)16(20)3/h7-8,10-14,17H,5-6,9H2,1-4H3,(H,22,23).
What are the key properties of N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 43905153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).