4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide

C21H25ClN2O4 — CID 32937961

IUPAC4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C21H25ClN2O4/c1-3-23-21(26)14-28-17-8-6-16(7-9-17)24-20(25)5-4-12-27-18-10-11-19(22)15(2)13-18/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFRJDSHVPFGZDHM-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.96
Rot. Bonds10

About 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide

4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide (PubChem CID 32937961) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
PubChem CID32937961
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C21H25ClN2O4/c1-3-23-21(26)14-28-17-8-6-16(7-9-17)24-20(25)5-4-12-27-18-10-11-19(22)15(2)13-18/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFRJDSHVPFGZDHM-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 8892876
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19191276
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide (CID 32937961) is 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide is CCNC(=O)COc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide?
The InChIKey is FRJDSHVPFGZDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-3-23-21(26)14-28-17-8-6-16(7-9-17)24-20(25)5-4-12-27-18-10-11-19(22)15(2)13-18/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide?
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide has a molecular weight of 404.89 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide is sourced from PubChem (CID 32937961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).