2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide

C21H30N4O3 — CID 95871990

IUPAC2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESCC(C)(C)c1cc(CN2CCOC[C@H]2CC(=O)Nc2cccc(CO)c2)[nH]n1
InChIInChI=1S/C21H30N4O3/c1-21(2,3)19-10-17(23-24-19)12-25-7-8-28-14-18(25)11-20(27)22-16-6-4-5-15(9-16)13-26/h4-6,9-10,18,26H,7-8,11-14H2,1-3H3,(H,22,27)(H,23,24)/t18-/m1/s1
InChIKeyGVDHBCWEBKOFGY-GOSISDBHSA-N
MW386.50 g/mol
LogP2.43
Rot. Bonds6

About 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide

2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide (PubChem CID 95871990) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
PubChem CID95871990
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESCC(C)(C)c1cc(CN2CCOC[C@H]2CC(=O)Nc2cccc(CO)c2)[nH]n1
InChIInChI=1S/C21H30N4O3/c1-21(2,3)19-10-17(23-24-19)12-25-7-8-28-14-18(25)11-20(27)22-16-6-4-5-15(9-16)13-26/h4-6,9-10,18,26H,7-8,11-14H2,1-3H3,(H,22,27)(H,23,24)/t18-/m1/s1
InChIKeyGVDHBCWEBKOFGY-GOSISDBHSA-N
XLogP2.43
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
CID 56914703
4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 86801210
2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide
CID 95886302
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
CID 56897356
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
N-(3-methoxyphenyl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)morpholin-3-yl]acetamide
CID 56904398
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722
N-(3-carbamothioylphenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43613218
2-(4-ethylmorpholin-3-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)phenyl]acetamide
CID 166285335
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide (CID 95871990) is 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide is CC(C)(C)c1cc(CN2CCOC[C@H]2CC(=O)Nc2cccc(CO)c2)[nH]n1.
What is the InChIKey of 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is GVDHBCWEBKOFGY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-21(2,3)19-10-17(23-24-19)12-25-7-8-28-14-18(25)11-20(27)22-16-6-4-5-15(9-16)13-26/h4-6,9-10,18,26H,7-8,11-14H2,1-3H3,(H,22,27)(H,23,24)/t18-/m1/s1.
What are the key properties of 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide?
2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 95871990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).