N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

C32H47N3O7 — CID 4175367

IUPACN-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)N(C)C2CCCCC2)=CC(c2c(C)n(C)n(-c3ccccc3)c2=O)C1CCOCCOCCO
InChIInChI=1S/C32H47N3O7/c1-5-41-32-26(16-18-39-20-21-40-19-17-36)27(22-28(42-32)30(37)33(3)24-12-8-6-9-13-24)29-23(2)34(4)35(31(29)38)25-14-10-7-11-15-25/h7,10-11,14-15,22,24,26-27,32,36H,5-6,8-9,12-13,16-21H2,1-4H3
InChIKeyYARASZRUEORIBE-UHFFFAOYSA-N
MW585.74 g/mol
LogP3.67
Rot. Bonds14

About N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4175367) has the molecular formula C32H47N3O7 and a molecular weight of 585.74 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID4175367
Molecular FormulaC32H47N3O7
Molecular Weight585.74 g/mol
Exact Mass585.34
IUPAC NameN-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)N(C)C2CCCCC2)=CC(c2c(C)n(C)n(-c3ccccc3)c2=O)C1CCOCCOCCO
InChIInChI=1S/C32H47N3O7/c1-5-41-32-26(16-18-39-20-21-40-19-17-36)27(22-28(42-32)30(37)33(3)24-12-8-6-9-13-24)29-23(2)34(4)35(31(29)38)25-14-10-7-11-15-25/h7,10-11,14-15,22,24,26-27,32,36H,5-6,8-9,12-13,16-21H2,1-4H3
InChIKeyYARASZRUEORIBE-UHFFFAOYSA-N
XLogP3.67
TPSA104.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4175367) is N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)N(C)C2CCCCC2)=CC(c2c(C)n(C)n(-c3ccccc3)c2=O)C1CCOCCOCCO.
What is the InChIKey of N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is YARASZRUEORIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O7/c1-5-41-32-26(16-18-39-20-21-40-19-17-36)27(22-28(42-32)30(37)33(3)24-12-8-6-9-13-24)29-23(2)34(4)35(31(29)38)25-14-10-7-11-15-25/h7,10-11,14-15,22,24,26-27,32,36H,5-6,8-9,12-13,16-21H2,1-4H3.
What are the key properties of N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 585.74 g/mol, XLogP of 3.67, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4175367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).