N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C20H27N3O3 — CID 99929919

IUPACN-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccnn2C)cc1
InChIInChI=1S/C20H27N3O3/c1-22-17(11-12-21-22)7-10-20(24)23(15-19-4-3-13-26-19)14-16-5-8-18(25-2)9-6-16/h5-6,8-9,11-12,19H,3-4,7,10,13-15H2,1-2H3/t19-/m0/s1
InChIKeyITSPYXORWZTOTL-IBGZPJMESA-N
MW357.45 g/mol
LogP2.57
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 99929919) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID99929919
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccnn2C)cc1
InChIInChI=1S/C20H27N3O3/c1-22-17(11-12-21-22)7-10-20(24)23(15-19-4-3-13-26-19)14-16-5-8-18(25-2)9-6-16/h5-6,8-9,11-12,19H,3-4,7,10,13-15H2,1-2H3/t19-/m0/s1
InChIKeyITSPYXORWZTOTL-IBGZPJMESA-N
XLogP2.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 97270295
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
CID 25364429
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)-N-propylpropanamide
CID 24790274
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 99938939
N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70730348
methyl 3-[(2-methylpyrazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964016
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42095937

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 99929919) is N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccnn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is ITSPYXORWZTOTL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22-17(11-12-21-22)7-10-20(24)23(15-19-4-3-13-26-19)14-16-5-8-18(25-2)9-6-16/h5-6,8-9,11-12,19H,3-4,7,10,13-15H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 99929919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).