2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide

C24H28N4O4 — CID 135144001

IUPAC2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C24H28N4O4/c1-27-17-19(16-25-27)18-3-8-22(23(15-18)30-2)24(29)26-20-4-6-21(7-5-20)32-14-11-28-9-12-31-13-10-28/h3-8,15-17H,9-14H2,1-2H3,(H,26,29)
InChIKeyVMDVSDPSHCELQL-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.06
Rot. Bonds8

About 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide

2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide (PubChem CID 135144001) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide
PubChem CID135144001
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C24H28N4O4/c1-27-17-19(16-25-27)18-3-8-22(23(15-18)30-2)24(29)26-20-4-6-21(7-5-20)32-14-11-28-9-12-31-13-10-28/h3-8,15-17H,9-14H2,1-2H3,(H,26,29)
InChIKeyVMDVSDPSHCELQL-UHFFFAOYSA-N
XLogP3.06
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 73055004
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253001
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methoxy-4-(1-methylpyrazol-4-yl)benzamide
CID 135143386
5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide
CID 121240899
N-[4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]phenyl]-3-methylbenzamide
CID 161423334
1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 73055002
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide
CID 156902307
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 46833073

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
The IUPAC name of 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide (CID 135144001) is 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
The canonical SMILES for 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide is COc1cc(-c2cnn(C)c2)ccc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
The InChIKey is VMDVSDPSHCELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-27-17-19(16-25-27)18-3-8-22(23(15-18)30-2)24(29)26-20-4-6-21(7-5-20)32-14-11-28-9-12-31-13-10-28/h3-8,15-17H,9-14H2,1-2H3,(H,26,29).
What are the key properties of 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide?
2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 135144001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).