5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide

C23H30N2O4 — CID 48503193

IUPAC5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
SMILESCOc1ccc(CNC(=O)CNC(=O)CCCCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H30N2O4/c1-17-7-8-18(2)21(14-17)29-13-5-4-6-22(26)25-16-23(27)24-15-19-9-11-20(28-3)12-10-19/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyLGRJJYXHVNCLKV-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.29
Rot. Bonds11

About 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide

5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide (PubChem CID 48503193) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
PubChem CID48503193
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
SMILESCOc1ccc(CNC(=O)CNC(=O)CCCCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H30N2O4/c1-17-7-8-18(2)21(14-17)29-13-5-4-6-22(26)25-16-23(27)24-15-19-9-11-20(28-3)12-10-19/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyLGRJJYXHVNCLKV-UHFFFAOYSA-N
XLogP3.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.29
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

3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
4-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 22683001
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 48501810
5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
CID 119500786
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305545
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide (CID 48503193) is 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide is COc1ccc(CNC(=O)CNC(=O)CCCCOc2cc(C)ccc2C)cc1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
The InChIKey is LGRJJYXHVNCLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17-7-8-18(2)21(14-17)29-13-5-4-6-22(26)25-16-23(27)24-15-19-9-11-20(28-3)12-10-19/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide?
5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide has a molecular weight of 398.50 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 48503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).