(2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide

C20H19N3O2 — CID 97061640

IUPAC(2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)N(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H19N3O2/c1-15(25-17-11-7-4-8-12-17)20(24)23(2)19-14-13-18(21-22-19)16-9-5-3-6-10-16/h3-15H,1-2H3/t15-/m0/s1
InChIKeyKIPDQGJDLCLQAI-HNNXBMFYSA-N
MW333.39 g/mol
LogP3.57
Rot. Bonds5

About (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide

(2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide (PubChem CID 97061640) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide
PubChem CID97061640
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)N(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H19N3O2/c1-15(25-17-11-7-4-8-12-17)20(24)23(2)19-14-13-18(21-22-19)16-9-5-3-6-10-16/h3-15H,1-2H3/t15-/m0/s1
InChIKeyKIPDQGJDLCLQAI-HNNXBMFYSA-N
XLogP3.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
N-methyl-2-(4-phenylphenoxy)-N-propan-2-ylpropanamide
CID 78859617
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide
CID 71969776
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
CID 4814884
2-methoxy-N-methyl-N-pyridin-2-ylpropanamide
CID 115640276

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide?
The IUPAC name of (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide (CID 97061640) is (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide.
What is the SMILES notation for (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide?
The canonical SMILES for (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide is C[C@H](Oc1ccccc1)C(=O)N(C)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide?
The InChIKey is KIPDQGJDLCLQAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(25-17-11-7-4-8-12-17)20(24)23(2)19-14-13-18(21-22-19)16-9-5-3-6-10-16/h3-15H,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide?
(2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-phenoxy-N-(6-phenylpyridazin-3-yl)propanamide is sourced from PubChem (CID 97061640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).