N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide

C27H30N2O3 — CID 58982124

IUPACN-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide
SMILESCOc1ccc(NC(=O)CCCCCCC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1
InChIInChI=1S/C27H30N2O3/c1-32-23-17-18-25(24(28)19-23)29-27(31)12-8-3-2-7-11-26(30)22-15-13-21(14-16-22)20-9-5-4-6-10-20/h4-6,9-10,13-19H,2-3,7-8,11-12,28H2,1H3,(H,29,31)
InChIKeyWOXYZXXVUQKTEK-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.11
Rot. Bonds11

About N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide

N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide (PubChem CID 58982124) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide
PubChem CID58982124
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide
SMILESCOc1ccc(NC(=O)CCCCCCC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1
InChIInChI=1S/C27H30N2O3/c1-32-23-17-18-25(24(28)19-23)29-27(31)12-8-3-2-7-11-26(30)22-15-13-21(14-16-22)20-9-5-4-6-10-20/h4-6,9-10,13-19H,2-3,7-8,11-12,28H2,1H3,(H,29,31)
InChIKeyWOXYZXXVUQKTEK-UHFFFAOYSA-N
XLogP6.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-4-methoxyphenyl)nonanamide
CID 65449480
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N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide (CID 58982124) is N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide is COc1ccc(NC(=O)CCCCCCC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide?
The InChIKey is WOXYZXXVUQKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-32-23-17-18-25(24(28)19-23)29-27(31)12-8-3-2-7-11-26(30)22-15-13-21(14-16-22)20-9-5-4-6-10-20/h4-6,9-10,13-19H,2-3,7-8,11-12,28H2,1H3,(H,29,31).
What are the key properties of N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide?
N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide has a molecular weight of 430.55 g/mol, XLogP of 6.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide is sourced from PubChem (CID 58982124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).