3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide

C20H29N3O3 — CID 124729672

IUPAC3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)cc1OC
InChIInChI=1S/C20H29N3O3/c1-14(2)16(17-10-11-22-23(17)3)13-21-20(24)9-7-15-6-8-18(25-4)19(12-15)26-5/h6,8,10-12,14,16H,7,9,13H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyGOMBXHHWUHPURM-INIZCTEOSA-N
MW359.47 g/mol
LogP2.93
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide (PubChem CID 124729672) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
PubChem CID124729672
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)cc1OC
InChIInChI=1S/C20H29N3O3/c1-14(2)16(17-10-11-22-23(17)3)13-21-20(24)9-7-15-6-8-18(25-4)19(12-15)26-5/h6,8,10-12,14,16H,7,9,13H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyGOMBXHHWUHPURM-INIZCTEOSA-N
XLogP2.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide (CID 124729672) is 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide is COc1ccc(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The InChIKey is GOMBXHHWUHPURM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)16(17-10-11-22-23(17)3)13-21-20(24)9-7-15-6-8-18(25-4)19(12-15)26-5/h6,8,10-12,14,16H,7,9,13H2,1-5H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide has a molecular weight of 359.47 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide is sourced from PubChem (CID 124729672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).