N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide

C23H28N2O3 — CID 17199024

IUPACN-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O3/c1-17-7-8-18(2)21(15-17)28-16-22(26)24-20-11-9-19(10-12-20)23(27)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,26)
InChIKeySYPMCCPYQDGMQJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.34
Rot. Bonds5

About N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide

N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 17199024) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID17199024
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O3/c1-17-7-8-18(2)21(15-17)28-16-22(26)24-20-11-9-19(10-12-20)23(27)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,26)
InChIKeySYPMCCPYQDGMQJ-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 39683094
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide
CID 55786936
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
2-(2,5-dimethylphenoxy)-N-[4-[1-(3-fluoro-5-nitrobenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171683900
2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 39726745
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17335393
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide (CID 17199024) is N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is SYPMCCPYQDGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-7-8-18(2)21(15-17)28-16-22(26)24-20-11-9-19(10-12-20)23(27)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide?
N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 17199024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).