3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C23H32N4O4 — CID 26343959

IUPAC3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cnn(CC(=O)N(C)CC[C@H]2CCCCO2)c1
InChIInChI=1S/C23H32N4O4/c1-26(13-12-20-8-5-6-14-31-20)23(29)17-27-16-19(15-24-27)25-22(28)11-10-18-7-3-4-9-21(18)30-2/h3-4,7,9,15-16,20H,5-6,8,10-14,17H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyDRIFATYHPXQFEG-HXUWFJFHSA-N
MW428.53 g/mol
LogP2.88
Rot. Bonds10

About 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide

3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 26343959) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID26343959
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cnn(CC(=O)N(C)CC[C@H]2CCCCO2)c1
InChIInChI=1S/C23H32N4O4/c1-26(13-12-20-8-5-6-14-31-20)23(29)17-27-16-19(15-24-27)25-22(28)11-10-18-7-3-4-9-21(18)30-2/h3-4,7,9,15-16,20H,5-6,8,10-14,17H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyDRIFATYHPXQFEG-HXUWFJFHSA-N
XLogP2.88
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
CID 26325836
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
(E)-3-(2-methoxyphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94801288
3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide
CID 45226469
N-[1-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043641
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
CID 45220908

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 26343959) is 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N(C)CC[C@H]2CCCCO2)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is DRIFATYHPXQFEG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-26(13-12-20-8-5-6-14-31-20)23(29)17-27-16-19(15-24-27)25-22(28)11-10-18-7-3-4-9-21(18)30-2/h3-4,7,9,15-16,20H,5-6,8,10-14,17H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 428.53 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 26343959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).