N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C29H31N3O4 — CID 55707132

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C29H31N3O4/c1-20-16-21(2)32(31-20)25-12-10-22(11-13-25)14-15-30-29(33)24-17-26(34-3)28(27(18-24)35-4)36-19-23-8-6-5-7-9-23/h5-13,16-18H,14-15,19H2,1-4H3,(H,30,33)
InChIKeyCHISKFMYEYVAHR-UHFFFAOYSA-N
MW485.58 g/mol
LogP5.06
Rot. Bonds10

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 55707132) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID55707132
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C29H31N3O4/c1-20-16-21(2)32(31-20)25-12-10-22(11-13-25)14-15-30-29(33)24-17-26(34-3)28(27(18-24)35-4)36-19-23-8-6-5-7-9-23/h5-13,16-18H,14-15,19H2,1-4H3,(H,30,33)
InChIKeyCHISKFMYEYVAHR-UHFFFAOYSA-N
XLogP5.06
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24516009
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
CID 55723951
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 55707132) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is CHISKFMYEYVAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-20-16-21(2)32(31-20)25-12-10-22(11-13-25)14-15-30-29(33)24-17-26(34-3)28(27(18-24)35-4)36-19-23-8-6-5-7-9-23/h5-13,16-18H,14-15,19H2,1-4H3,(H,30,33).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 485.58 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 55707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).