N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide

C36H47N3O5 — CID 159516285

IUPACN-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide
SMILESCc1ccc(C(=O)CCCCCCC(=O)Nc2ccccc2N)cc1.O=C(CO)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C21H26N2O2.C15H21NO3/c1-16-12-14-17(15-13-16)20(24)10-4-2-3-5-11-21(25)23-19-9-7-6-8-18(19)22;17-12-14(18)10-6-1-2-7-11-15(19)16-13-8-4-3-5-9-13/h6-9,12-15H,2-5,10-11,22H2,1H3,(H,23,25);3-5,8-9,17H,1-2,6-7,10-12H2,(H,16,19)
InChIKeyMBFVBHYUMQHVIP-UHFFFAOYSA-N
MW601.79 g/mol
LogP7.27
Rot. Bonds18

About N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide

N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide (PubChem CID 159516285) has the molecular formula C36H47N3O5 and a molecular weight of 601.79 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide
PubChem CID159516285
Molecular FormulaC36H47N3O5
Molecular Weight601.79 g/mol
Exact Mass601.35
IUPAC NameN-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide
SMILESCc1ccc(C(=O)CCCCCCC(=O)Nc2ccccc2N)cc1.O=C(CO)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C21H26N2O2.C15H21NO3/c1-16-12-14-17(15-13-16)20(24)10-4-2-3-5-11-21(25)23-19-9-7-6-8-18(19)22;17-12-14(18)10-6-1-2-7-11-15(19)16-13-8-4-3-5-9-13/h6-9,12-15H,2-5,10-11,22H2,1H3,(H,23,25);3-5,8-9,17H,1-2,6-7,10-12H2,(H,16,19)
InChIKeyMBFVBHYUMQHVIP-UHFFFAOYSA-N
XLogP7.27
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 57.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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)-7-oxo-7-phenylheptanamide
CID 155558642
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
CID 108745056
N-(2-aminophenyl)octadecanamide
CID 68839220
(E)-N-(2-aminophenyl)-N'-(4-methylphenyl)hept-2-enediamide
CID 70231522
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide
CID 58982124
N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide
CID 58982108
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide?
The IUPAC name of N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide (CID 159516285) is N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide.
What is the SMILES notation for N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide?
The canonical SMILES for N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide is Cc1ccc(C(=O)CCCCCCC(=O)Nc2ccccc2N)cc1.O=C(CO)CCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide?
The InChIKey is MBFVBHYUMQHVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.C15H21NO3/c1-16-12-14-17(15-13-16)20(24)10-4-2-3-5-11-21(25)23-19-9-7-6-8-18(19)22;17-12-14(18)10-6-1-2-7-11-15(19)16-13-8-4-3-5-9-13/h6-9,12-15H,2-5,10-11,22H2,1H3,(H,23,25);3-5,8-9,17H,1-2,6-7,10-12H2,(H,16,19).
What are the key properties of N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide?
N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide has a molecular weight of 601.79 g/mol, XLogP of 7.27, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide is sourced from PubChem (CID 159516285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).