2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide

C20H22N4O3 — CID 90178158

IUPAC2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCOc1cccc(N(C)CC(=O)Nc2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C20H22N4O3/c1-24(16-5-4-6-17(10-16)26-2)13-20(25)23-15-7-8-18(19(9-15)27-3)14-11-21-22-12-14/h4-12H,13H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyWEKVHLQCOWMTOC-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.17
Rot. Bonds7

About 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide

2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 90178158) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID90178158
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCOc1cccc(N(C)CC(=O)Nc2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C20H22N4O3/c1-24(16-5-4-6-17(10-16)26-2)13-20(25)23-15-7-8-18(19(9-15)27-3)14-11-21-22-12-14/h4-12H,13H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyWEKVHLQCOWMTOC-UHFFFAOYSA-N
XLogP3.17
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 28894649
2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 118625559
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 86780450
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662907
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
6-fluoro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571682

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 90178158) is 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide is COc1cccc(N(C)CC(=O)Nc2ccc(-c3cn[nH]c3)c(OC)c2)c1.
What is the InChIKey of 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is WEKVHLQCOWMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24(16-5-4-6-17(10-16)26-2)13-20(25)23-15-7-8-18(19(9-15)27-3)14-11-21-22-12-14/h4-12H,13H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylanilino)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 90178158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).