N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide

C23H30N2O4 — CID 149460291

IUPACN-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
SMILESCOCCOc1ccccc1C(=O)CCCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C23H30N2O4/c1-28-16-17-29-22-14-9-6-10-18(22)21(26)13-4-2-3-5-15-23(27)25-20-12-8-7-11-19(20)24/h6-12,14H,2-5,13,15-17,24H2,1H3,(H,25,27)
InChIKeyYZJJEDFMDBCSER-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.46
Rot. Bonds13

About N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide

N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide (PubChem CID 149460291) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
PubChem CID149460291
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
SMILESCOCCOc1ccccc1C(=O)CCCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C23H30N2O4/c1-28-16-17-29-22-14-9-6-10-18(22)21(26)13-4-2-3-5-15-23(27)25-20-12-8-7-11-19(20)24/h6-12,14H,2-5,13,15-17,24H2,1H3,(H,25,27)
InChIKeyYZJJEDFMDBCSER-UHFFFAOYSA-N
XLogP4.46
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide?
The IUPAC name of N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide (CID 149460291) is N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide.
What is the SMILES notation for N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide?
The canonical SMILES for N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide is COCCOc1ccccc1C(=O)CCCCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide?
The InChIKey is YZJJEDFMDBCSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-28-16-17-29-22-14-9-6-10-18(22)21(26)13-4-2-3-5-15-23(27)25-20-12-8-7-11-19(20)24/h6-12,14H,2-5,13,15-17,24H2,1H3,(H,25,27).
What are the key properties of N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide?
N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide has a molecular weight of 398.50 g/mol, XLogP of 4.46, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide is sourced from PubChem (CID 149460291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).