N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide

C22H29NO4 — CID 43011681

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
SMILESCCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C22H29NO4/c1-6-25-20-13-10-18(14-21(20)26-7-2)16(4)23-22(24)17(5)27-19-11-8-15(3)9-12-19/h8-14,16-17H,6-7H2,1-5H3,(H,23,24)
InChIKeyAADNGHKDYACGJD-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.44
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide (PubChem CID 43011681) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
PubChem CID43011681
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
SMILESCCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C22H29NO4/c1-6-25-20-13-10-18(14-21(20)26-7-2)16(4)23-22(24)17(5)27-19-11-8-15(3)9-12-19/h8-14,16-17H,6-7H2,1-5H3,(H,23,24)
InChIKeyAADNGHKDYACGJD-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 30389970
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 38016623
3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 46448379
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28578729
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide (CID 43011681) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide is CCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(C)cc2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is AADNGHKDYACGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-6-25-20-13-10-18(14-21(20)26-7-2)16(4)23-22(24)17(5)27-19-11-8-15(3)9-12-19/h8-14,16-17H,6-7H2,1-5H3,(H,23,24).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 43011681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).