N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide

C29H37N3O4 — CID 18623609

IUPACN-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)C(C)C)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C29H37N3O4/c1-5-21-17-27(33)32(18-20-9-8-10-23(15-20)30-29(34)19(2)3)31-28(21)22-13-14-25(35-4)26(16-22)36-24-11-6-7-12-24/h8-10,13-16,19,21,24H,5-7,11-12,17-18H2,1-4H3,(H,30,34)
InChIKeyFMRWLEUAQBXMGW-UHFFFAOYSA-N
MW491.63 g/mol
LogP5.77
Rot. Bonds9

About N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide

N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide (PubChem CID 18623609) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
PubChem CID18623609
Molecular FormulaC29H37N3O4
Molecular Weight491.63 g/mol
Exact Mass491.28
IUPAC NameN-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)C(C)C)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C29H37N3O4/c1-5-21-17-27(33)32(18-20-9-8-10-23(15-20)30-29(34)19(2)3)31-28(21)22-13-14-25(35-4)26(16-22)36-24-11-6-7-12-24/h8-10,13-16,19,21,24H,5-7,11-12,17-18H2,1-4H3,(H,30,34)
InChIKeyFMRWLEUAQBXMGW-UHFFFAOYSA-N
XLogP5.77
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride
CID 158299520
6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-2-[(3-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623347
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
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10205542
methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate
CID 174461803
6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623506
6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(3-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623400
N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 174474431
N-cyclopentyl-4-[[3-[3-(difluoromethoxy)-4-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
CID 18623463
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623412
N-cyclopentyl-4-[[3-(3-ethoxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzamide
CID 18623553

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide (CID 18623609) is N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide is CCC1CC(=O)N(Cc2cccc(NC(=O)C(C)C)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The InChIKey is FMRWLEUAQBXMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-5-21-17-27(33)32(18-20-9-8-10-23(15-20)30-29(34)19(2)3)31-28(21)22-13-14-25(35-4)26(16-22)36-24-11-6-7-12-24/h8-10,13-16,19,21,24H,5-7,11-12,17-18H2,1-4H3,(H,30,34).
What are the key properties of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide has a molecular weight of 491.63 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 18623609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).