2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide

C15H26N4O2 — CID 128992337

IUPAC2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
SMILESCC(C)N(C)CC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C15H26N4O2/c1-11(2)18(3)10-14(20)17-13-6-5-7-21-15(13)12-8-16-19(4)9-12/h8-9,11,13,15H,5-7,10H2,1-4H3,(H,17,20)/t13-,15+/m0/s1
InChIKeyIJQNYNNHBHGBOP-DZGCQCFKSA-N
MW294.40 g/mol
LogP1.10
Rot. Bonds5

About 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide

2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide (PubChem CID 128992337) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
PubChem CID128992337
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
SMILESCC(C)N(C)CC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C15H26N4O2/c1-11(2)18(3)10-14(20)17-13-6-5-7-21-15(13)12-8-16-19(4)9-12/h8-9,11,13,15H,5-7,10H2,1-4H3,(H,17,20)/t13-,15+/m0/s1
InChIKeyIJQNYNNHBHGBOP-DZGCQCFKSA-N
XLogP1.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475287
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 128992934
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
CID 128968666
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 154800221
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
CID 129006215
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1-[(2S)-oxolan-2-yl]methanesulfonamide
CID 129333429
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 126784719

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide (CID 128992337) is 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide is CC(C)N(C)CC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide?
The InChIKey is IJQNYNNHBHGBOP-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)18(3)10-14(20)17-13-6-5-7-21-15(13)12-8-16-19(4)9-12/h8-9,11,13,15H,5-7,10H2,1-4H3,(H,17,20)/t13-,15+/m0/s1.
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide?
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide is sourced from PubChem (CID 128992337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).