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

C17H24N4O2 — CID 95277041

IUPACN-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CN[C@H](C)[C@@H](C)n1cccn1
InChIInChI=1S/C17H24N4O2/c1-13(14(2)21-10-6-9-20-21)19-11-15-7-4-5-8-16(15)23-12-17(22)18-3/h4-10,13-14,19H,11-12H2,1-3H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyVWVQGXOJNIILAT-ZIAGYGMSSA-N
MW316.41 g/mol
LogP1.75
Rot. Bonds8

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

N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide (PubChem CID 95277041) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
PubChem CID95277041
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1CN[C@H](C)[C@@H](C)n1cccn1
InChIInChI=1S/C17H24N4O2/c1-13(14(2)21-10-6-9-20-21)19-11-15-7-4-5-8-16(15)23-12-17(22)18-3/h4-10,13-14,19H,11-12H2,1-3H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyVWVQGXOJNIILAT-ZIAGYGMSSA-N
XLogP1.75
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95290372
(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95280025
(2S,3R)-3-pyrazol-1-yl-N-[[2-(pyridin-4-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95281267
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
CID 47397786
N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide
CID 95290313
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 61489295
(2R,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759601
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide
CID 92708095
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide (CID 95277041) is N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide is CNC(=O)COc1ccccc1CN[C@H](C)[C@@H](C)n1cccn1.
What is the InChIKey of N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
The InChIKey is VWVQGXOJNIILAT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(14(2)21-10-6-9-20-21)19-11-15-7-4-5-8-16(15)23-12-17(22)18-3/h4-10,13-14,19H,11-12H2,1-3H3,(H,18,22)/t13-,14-/m1/s1.
What are the key properties of N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide?
N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 95277041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).