N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide

C20H33N3O2 — CID 50956091

IUPACN-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](CCn2nc(C)cc2C)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C20H33N3O2/c1-14-11-15(2)23(22-14)10-9-19-12-18(21-16(3)24)13-20(25-19)17-7-5-4-6-8-17/h11,17-20H,4-10,12-13H2,1-3H3,(H,21,24)/t18-,19+,20+/m0/s1
InChIKeyRQIQXENVUPPRMT-XUVXKRRUSA-N
MW347.50 g/mol
LogP3.52
Rot. Bonds5

About N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide

N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide (PubChem CID 50956091) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide
PubChem CID50956091
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](CCn2nc(C)cc2C)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C20H33N3O2/c1-14-11-15(2)23(22-14)10-9-19-12-18(21-16(3)24)13-20(25-19)17-7-5-4-6-8-17/h11,17-20H,4-10,12-13H2,1-3H3,(H,21,24)/t18-,19+,20+/m0/s1
InChIKeyRQIQXENVUPPRMT-XUVXKRRUSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl)-1-propanone
CID 91907696
1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone
CID 91907712
1-[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undec-9-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone
CID 91919113
1-butan-2-yl-5-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pyrazole-3-carboxamide
CID 122135709
2-(3,5-dimethylpyrazol-1-yl)-N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 45182141
N-[(2R*,4R*,6S*)-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50968722
N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-2,2-dimethyltetrahydro-2H-pyran-4-carboxamide
CID 74232781
"3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(tetrahydro-2H-pyran-4-ylmethyl)propanamide"
CID 91914791
N-cyclopropyl-N-{9-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-N'-ethylurea
CID 91919860
1-Cyclohexyl-3-[5-(2,6-dimethyloxan-4-yl)pentyl]-5-methylpyrazole
CID 71168496
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
CID 118313496
methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
CID 158995532

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide (CID 50956091) is N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](CCn2nc(C)cc2C)O[C@@H](C2CCCCC2)C1.
What is the InChIKey of N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide?
The InChIKey is RQIQXENVUPPRMT-XUVXKRRUSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-14-11-15(2)23(22-14)10-9-19-12-18(21-16(3)24)13-20(25-19)17-7-5-4-6-8-17/h11,17-20H,4-10,12-13H2,1-3H3,(H,21,24)/t18-,19+,20+/m0/s1.
What are the key properties of N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide?
N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6R)-2-cyclohexyl-6-[2-(3,5-dimethylpyrazol-1-yl)ethyl]oxan-4-yl]acetamide is sourced from PubChem (CID 50956091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).