N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide

C18H26N4O2 — CID 95290372

IUPACN,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
SMILESC[C@H]([C@@H](C)NCc1ccccc1OCC(=O)N(C)C)n1cccn1
InChIInChI=1S/C18H26N4O2/c1-14(15(2)22-11-7-10-20-22)19-12-16-8-5-6-9-17(16)24-13-18(23)21(3)4/h5-11,14-15,19H,12-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyKCWCHPXZBPPPKT-HUUCEWRRSA-N
MW330.43 g/mol
LogP2.09
Rot. Bonds8

About N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide

N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide (PubChem CID 95290372) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
PubChem CID95290372
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
SMILESC[C@H]([C@@H](C)NCc1ccccc1OCC(=O)N(C)C)n1cccn1
InChIInChI=1S/C18H26N4O2/c1-14(15(2)22-11-7-10-20-22)19-12-16-8-5-6-9-17(16)24-13-18(23)21(3)4/h5-11,14-15,19H,12-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyKCWCHPXZBPPPKT-HUUCEWRRSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95277041
N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide
CID 95290313
(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95281267
(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95280025
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
(2R,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759601
(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide
CID 92708095
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63063750
(2S,3S)-N-(1,3-benzodioxol-4-ylmethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95276384
2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 47615357

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide (CID 95290372) is N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide is C[C@H]([C@@H](C)NCc1ccccc1OCC(=O)N(C)C)n1cccn1.
What is the InChIKey of N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The InChIKey is KCWCHPXZBPPPKT-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(15(2)22-11-7-10-20-22)19-12-16-8-5-6-9-17(16)24-13-18(23)21(3)4/h5-11,14-15,19H,12-13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 95290372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).