N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide

C23H29NO4 — CID 85020010

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NC(C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C23H29NO4/c1-5-6-17-7-9-18(10-8-17)21(25)12-14-23(26)24-16(2)20-15-19(27-3)11-13-22(20)28-4/h7-11,13,15-16H,5-6,12,14H2,1-4H3,(H,24,26)
InChIKeyGCIJPOLMJWZLDN-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.50
Rot. Bonds10

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide (PubChem CID 85020010) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide
PubChem CID85020010
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NC(C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C23H29NO4/c1-5-6-17-7-9-18(10-8-17)21(25)12-14-23(26)24-16(2)20-15-19(27-3)11-13-22(20)28-4/h7-11,13,15-16H,5-6,12,14H2,1-4H3,(H,24,26)
InChIKeyGCIJPOLMJWZLDN-UHFFFAOYSA-N
XLogP4.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9477089
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18116629
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46653479
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide (CID 85020010) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)NC(C)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide?
The InChIKey is GCIJPOLMJWZLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-5-6-17-7-9-18(10-8-17)21(25)12-14-23(26)24-16(2)20-15-19(27-3)11-13-22(20)28-4/h7-11,13,15-16H,5-6,12,14H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide has a molecular weight of 383.49 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 85020010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).