N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C21H29N3O3 — CID 52519504

IUPACN-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C21H29N3O3/c1-15-19(16(2)23(3)22-15)12-21(25)24(14-18-9-7-11-27-18)13-17-8-5-6-10-20(17)26-4/h5-6,8,10,18H,7,9,11-14H2,1-4H3/t18-/m0/s1
InChIKeyHTIFBVBDJSAQLK-SFHVURJKSA-N
MW371.48 g/mol
LogP2.80
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 52519504) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID52519504
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C21H29N3O3/c1-15-19(16(2)23(3)22-15)12-21(25)24(14-18-9-7-11-27-18)13-17-8-5-6-10-20(17)26-4/h5-6,8,10,18H,7,9,11-14H2,1-4H3/t18-/m0/s1
InChIKeyHTIFBVBDJSAQLK-SFHVURJKSA-N
XLogP2.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55763211
N-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55967624
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55968770
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968642
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719
N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide
CID 138992766
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74246165
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55969151

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 52519504) is N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is HTIFBVBDJSAQLK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-19(16(2)23(3)22-15)12-21(25)24(14-18-9-7-11-27-18)13-17-8-5-6-10-20(17)26-4/h5-6,8,10,18H,7,9,11-14H2,1-4H3/t18-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 52519504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).