N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide

C23H27N3O5 — CID 69361664

IUPACN-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide
SMILESCOc1ccc(C(=O)c2cccc(N)c2NC(=O)CCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O5/c1-30-17-10-8-16(9-11-17)23(29)18-4-2-5-19(24)22(18)25-20(27)6-3-7-21(28)26-12-14-31-15-13-26/h2,4-5,8-11H,3,6-7,12-15,24H2,1H3,(H,25,27)
InChIKeyMKOOJEADEITOQI-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.48
Rot. Bonds8

About N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide

N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide (PubChem CID 69361664) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide
PubChem CID69361664
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide
SMILESCOc1ccc(C(=O)c2cccc(N)c2NC(=O)CCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O5/c1-30-17-10-8-16(9-11-17)23(29)18-4-2-5-19(24)22(18)25-20(27)6-3-7-21(28)26-12-14-31-15-13-26/h2,4-5,8-11H,3,6-7,12-15,24H2,1H3,(H,25,27)
InChIKeyMKOOJEADEITOQI-UHFFFAOYSA-N
XLogP2.48
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-oxo-5-piperidin-1-ylpentanamide
CID 69361211
N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide
CID 42765045
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide
CID 69360071
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
5-morpholin-4-yl-5-oxo-N-(4-sulfamoylphenyl)pentanamide
CID 1125536
N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53286652
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456709
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide?
The IUPAC name of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide (CID 69361664) is N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide.
What is the SMILES notation for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide?
The canonical SMILES for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide is COc1ccc(C(=O)c2cccc(N)c2NC(=O)CCCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide?
The InChIKey is MKOOJEADEITOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-30-17-10-8-16(9-11-17)23(29)18-4-2-5-19(24)22(18)25-20(27)6-3-7-21(28)26-12-14-31-15-13-26/h2,4-5,8-11H,3,6-7,12-15,24H2,1H3,(H,25,27).
What are the key properties of N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide?
N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide has a molecular weight of 425.49 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(4-methoxybenzoyl)phenyl]-5-morpholin-4-yl-5-oxopentanamide is sourced from PubChem (CID 69361664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).