3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide

C24H29N3O4 — CID 53307680

IUPAC3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOCCCOc1cc(CCc2ccc(OC)cc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C24H29N3O4/c1-27-12-11-23(26-27)25-24(28)20-15-19(16-22(17-20)31-14-4-13-29-2)6-5-18-7-9-21(30-3)10-8-18/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,25,26,28)
InChIKeyDSLSMWRILCIHNO-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.88
Rot. Bonds11

About 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide

3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 53307680) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID53307680
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOCCCOc1cc(CCc2ccc(OC)cc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C24H29N3O4/c1-27-12-11-23(26-27)25-24(28)20-15-19(16-22(17-20)31-14-4-13-29-2)6-5-18-7-9-21(30-3)10-8-18/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,25,26,28)
InChIKeyDSLSMWRILCIHNO-UHFFFAOYSA-N
XLogP3.88
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306096
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51228906
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 142693047
3-[3-(methoxymethylsulfonyl)propoxy]-N-(1-methylpyrazol-3-yl)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
CID 66716355
3-(4-hydroxybutoxy)-N-(1-methylpyrazol-3-yl)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
CID 66714568
4-[3-(1-methoxypropan-2-yloxy)-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 67489349
4-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 58133630
3-(4-cyanophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 11654366
3-(bromomethyl)-5-(3-methoxypropoxy)-N-pyrazin-2-ylbenzamide
CID 67306472
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
3-[2-[4-(N-acetylanilino)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 53308115

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide (CID 53307680) is 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide is COCCCOc1cc(CCc2ccc(OC)cc2)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is DSLSMWRILCIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-27-12-11-23(26-27)25-24(28)20-15-19(16-22(17-20)31-14-4-13-29-2)6-5-18-7-9-21(30-3)10-8-18/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,25,26,28).
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide?
3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 423.51 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 53307680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).