N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide

C19H28N4O2 — CID 95290313

IUPACN,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide
SMILESCc1cnn([C@H](C)[C@H](C)NCc2ccccc2OCC(=O)N(C)C)c1
InChIInChI=1S/C19H28N4O2/c1-14-10-21-23(12-14)16(3)15(2)20-11-17-8-6-7-9-18(17)25-13-19(24)22(4)5/h6-10,12,15-16,20H,11,13H2,1-5H3/t15-,16+/m0/s1
InChIKeyCUBUHLGXLDFBEY-JKSUJKDBSA-N
MW344.46 g/mol
LogP2.40
Rot. Bonds8

About N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide

N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide (PubChem CID 95290313) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide
PubChem CID95290313
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide
SMILESCc1cnn([C@H](C)[C@H](C)NCc2ccccc2OCC(=O)N(C)C)c1
InChIInChI=1S/C19H28N4O2/c1-14-10-21-23(12-14)16(3)15(2)20-11-17-8-6-7-9-18(17)25-13-19(24)22(4)5/h6-10,12,15-16,20H,11,13H2,1-5H3/t15-,16+/m0/s1
InChIKeyCUBUHLGXLDFBEY-JKSUJKDBSA-N
XLogP2.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985
N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95277041
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95613963
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613951
N-[(2-chlorophenyl)methyl]-3-[[(2R,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]propanamide
CID 95340689
(2R,3R)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95759659
N-methyl-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95759748
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63063750
2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 43674958

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide (CID 95290313) is N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide is Cc1cnn([C@H](C)[C@H](C)NCc2ccccc2OCC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide?
The InChIKey is CUBUHLGXLDFBEY-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-10-21-23(12-14)16(3)15(2)20-11-17-8-6-7-9-18(17)25-13-19(24)22(4)5/h6-10,12,15-16,20H,11,13H2,1-5H3/t15-,16+/m0/s1.
What are the key properties of N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide?
N,N-dimethyl-2-[2-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.40, 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-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 95290313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).