N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide

C19H22N2O4 — CID 119421073

IUPACN-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cc(OC)ccc2N)cc1
InChIInChI=1S/C19H22N2O4/c1-24-14-8-6-13(7-9-14)18(22)4-3-5-19(23)21-17-12-15(25-2)10-11-16(17)20/h6-12H,3-5,20H2,1-2H3,(H,21,23)
InChIKeyPSNJUTCOCMYLIW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.28
Rot. Bonds8

About N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide

N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 119421073) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID119421073
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cc(OC)ccc2N)cc1
InChIInChI=1S/C19H22N2O4/c1-24-14-8-6-13(7-9-14)18(22)4-3-5-19(23)21-17-12-15(25-2)10-11-16(17)20/h6-12H,3-5,20H2,1-2H3,(H,21,23)
InChIKeyPSNJUTCOCMYLIW-UHFFFAOYSA-N
XLogP3.28
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709
N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide
CID 58982124
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55914142
N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110298279
2-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
CID 120687330
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N-(2-amino-5-methoxyphenyl)-4-(2,5-dichlorothiophen-3-yl)butanamide;hydrochloride
CID 119421686
N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 119421736
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide (CID 119421073) is N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)Nc2cc(OC)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is PSNJUTCOCMYLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-14-8-6-13(7-9-14)18(22)4-3-5-19(23)21-17-12-15(25-2)10-11-16(17)20/h6-12H,3-5,20H2,1-2H3,(H,21,23).
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 342.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 119421073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).