N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide

C27H35N3O4 — CID 18623581

IUPACN-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
SMILESCCC1CC(=O)N(CCc2ccc(NC(=O)C(C)(C)C)cc2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H35N3O4/c1-7-19-17-24(31)30(29-25(19)20-10-13-22(33-5)23(16-20)34-6)15-14-18-8-11-21(12-9-18)28-26(32)27(2,3)4/h8-13,16,19H,7,14-15,17H2,1-6H3,(H,28,32)
InChIKeyKSAIUXQNNNBRGZ-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.89
Rot. Bonds8

About N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide

N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 18623581) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
PubChem CID18623581
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide
SMILESCCC1CC(=O)N(CCc2ccc(NC(=O)C(C)(C)C)cc2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C27H35N3O4/c1-7-19-17-24(31)30(29-25(19)20-10-13-22(33-5)23(16-20)34-6)15-14-18-8-11-21(12-9-18)28-26(32)27(2,3)4/h8-13,16,19H,7,14-15,17H2,1-6H3,(H,28,32)
InChIKeyKSAIUXQNNNBRGZ-UHFFFAOYSA-N
XLogP4.89
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2,2-trifluoroacetamide
CID 18623361
N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623510
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetyl chloride
CID 158765134
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
N-[4-[2-[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]ethyl]phenyl]acetamide
CID 19357917
N-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623582
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623412
N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
CID 54321574
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]propanamide
CID 18623390
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
CID 18623546
ethyl carbonochloridate;ethyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 158088402
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxamide
CID 54305880

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide (CID 18623581) is N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide is CCC1CC(=O)N(CCc2ccc(NC(=O)C(C)(C)C)cc2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is KSAIUXQNNNBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-7-19-17-24(31)30(29-25(19)20-10-13-22(33-5)23(16-20)34-6)15-14-18-8-11-21(12-9-18)28-26(32)27(2,3)4/h8-13,16,19H,7,14-15,17H2,1-6H3,(H,28,32).
What are the key properties of N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 465.59 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18623581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).