N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

C22H29NO2 — CID 17326610

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)NC(=O)C(C)Oc2ccccc2C(C)C)cc1C
InChIInChI=1S/C22H29NO2/c1-14(2)20-9-7-8-10-21(20)25-18(6)22(24)23-17(5)19-12-11-15(3)16(4)13-19/h7-14,17-18H,1-6H3,(H,23,24)
InChIKeyKJWWNSMJSDSLHM-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.07
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 17326610) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID17326610
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)NC(=O)C(C)Oc2ccccc2C(C)C)cc1C
InChIInChI=1S/C22H29NO2/c1-14(2)20-9-7-8-10-21(20)25-18(6)22(24)23-17(5)19-12-11-15(3)16(4)13-19/h7-14,17-18H,1-6H3,(H,23,24)
InChIKeyKJWWNSMJSDSLHM-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 94843420
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 17326587
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 38016623
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 94843433
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272
N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133199972
(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100738763
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 17326610) is N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)NC(=O)C(C)Oc2ccccc2C(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is KJWWNSMJSDSLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-14(2)20-9-7-8-10-21(20)25-18(6)22(24)23-17(5)19-12-11-15(3)16(4)13-19/h7-14,17-18H,1-6H3,(H,23,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 339.48 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 17326610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).