N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide

C24H33NO4 — CID 43906025

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCOc1ccc(C(C)NC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C24H33NO4/c1-7-21(29-20-12-10-16(4)17(5)14-20)24(26)25-18(6)19-11-13-22(27-8-2)23(15-19)28-9-3/h10-15,18,21H,7-9H2,1-6H3,(H,25,26)
InChIKeyDMZDDJUUVMJJQL-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.14
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 43906025) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
PubChem CID43906025
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCOc1ccc(C(C)NC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C24H33NO4/c1-7-21(29-20-12-10-16(4)17(5)14-20)24(26)25-18(6)19-11-13-22(27-8-2)23(15-19)28-9-3/h10-15,18,21H,7-9H2,1-6H3,(H,25,26)
InChIKeyDMZDDJUUVMJJQL-UHFFFAOYSA-N
XLogP5.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818
2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53284470
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
2-(3,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165649
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569042
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 94843433
(2S)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 100759702
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide (CID 43906025) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide is CCOc1ccc(C(C)NC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is DMZDDJUUVMJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-7-21(29-20-12-10-16(4)17(5)14-20)24(26)25-18(6)19-11-13-22(27-8-2)23(15-19)28-9-3/h10-15,18,21H,7-9H2,1-6H3,(H,25,26).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 399.53 g/mol, XLogP of 5.14, 10 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-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 43906025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).