N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

C25H30N2O4 — CID 55785647

IUPACN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cc1OC
InChIInChI=1S/C25H30N2O4/c1-5-6-9-14-31-22-13-12-18(15-23(22)30-4)17(2)26-25(29)20-16-24(28)27(3)21-11-8-7-10-19(20)21/h7-8,10-13,15-17H,5-6,9,14H2,1-4H3,(H,26,29)
InChIKeyJCZOVKLFBILHMS-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.61
Rot. Bonds9

About N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55785647) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55785647
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cc1OC
InChIInChI=1S/C25H30N2O4/c1-5-6-9-14-31-22-13-12-18(15-23(22)30-4)17(2)26-25(29)20-16-24(28)27(3)21-11-8-7-10-19(20)21/h7-8,10-13,15-17H,5-6,9,14H2,1-4H3,(H,26,29)
InChIKeyJCZOVKLFBILHMS-UHFFFAOYSA-N
XLogP4.61
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55789038
1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide
CID 55972027
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86995231
N-[1-(3-methoxy-4-tetradecoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide
CID 19016217
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55747220
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 78902842
2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55785647) is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is CCCCCOc1ccc(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is JCZOVKLFBILHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-5-6-9-14-31-22-13-12-18(15-23(22)30-4)17(2)26-25(29)20-16-24(28)27(3)21-11-8-7-10-19(20)21/h7-8,10-13,15-17H,5-6,9,14H2,1-4H3,(H,26,29).
What are the key properties of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55785647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).