3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide

C22H26N4O3 — CID 126433353

IUPAC3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cc1OCCN
InChIInChI=1S/C22H26N4O3/c1-15(18-14-19(25-24-18)16-7-5-4-6-8-16)26(2)22(27)17-9-10-20(28-3)21(13-17)29-12-11-23/h4-10,13-15H,11-12,23H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyNWAUIUXQNGJWIB-HNNXBMFYSA-N
MW394.48 g/mol
LogP3.26
Rot. Bonds8

About 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide

3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide (PubChem CID 126433353) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
PubChem CID126433353
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cc1OCCN
InChIInChI=1S/C22H26N4O3/c1-15(18-14-19(25-24-18)16-7-5-4-6-8-16)26(2)22(27)17-9-10-20(28-3)21(13-17)29-12-11-23/h4-10,13-15H,11-12,23H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyNWAUIUXQNGJWIB-HNNXBMFYSA-N
XLogP3.26
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
CID 74235393
3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
3-(3-methoxy-2,2-dimethylpropyl)-1-methyl-1-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]urea
CID 125446420
[3-(2-aminoethoxy)-4-methoxyphenyl]-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone;hydrochloride
CID 154884508
N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131902441
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 59224071
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 97446078
acetic acid;3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]benzamide
CID 154906700
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide (CID 126433353) is 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide is COc1ccc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide?
The InChIKey is NWAUIUXQNGJWIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(18-14-19(25-24-18)16-7-5-4-6-8-16)26(2)22(27)17-9-10-20(28-3)21(13-17)29-12-11-23/h4-10,13-15H,11-12,23H2,1-3H3,(H,24,25)/t15-/m0/s1.
What are the key properties of 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide?
3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 126433353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).