N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide

C18H30N4O2 — CID 128981450

IUPACN-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC2CCC(NC(C)=O)CC2)cn1
InChIInChI=1S/C18H30N4O2/c1-3-22-12-14(11-19-22)18-17(5-4-10-24-18)21-16-8-6-15(7-9-16)20-13(2)23/h11-12,15-18,21H,3-10H2,1-2H3,(H,20,23)/t15?,16?,17-,18+/m0/s1
InChIKeyYNKSGGCUBUJZFU-ZGUYJTEBSA-N
MW334.46 g/mol
LogP2.16
Rot. Bonds5

About N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide

N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide (PubChem CID 128981450) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
PubChem CID128981450
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC2CCC(NC(C)=O)CC2)cn1
InChIInChI=1S/C18H30N4O2/c1-3-22-12-14(11-19-22)18-17(5-4-10-24-18)21-16-8-6-15(7-9-16)20-13(2)23/h11-12,15-18,21H,3-10H2,1-2H3,(H,20,23)/t15?,16?,17-,18+/m0/s1
InChIKeyYNKSGGCUBUJZFU-ZGUYJTEBSA-N
XLogP2.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 129007180
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
butyl 2-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]propanoate
CID 136588873
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide
CID 129006077
2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 129006245
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 129005578
N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide
CID 50956018
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
CID 166407891

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide (CID 128981450) is N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide is CCn1cc([C@H]2OCCC[C@@H]2NC2CCC(NC(C)=O)CC2)cn1.
What is the InChIKey of N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide?
The InChIKey is YNKSGGCUBUJZFU-ZGUYJTEBSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-22-12-14(11-19-22)18-17(5-4-10-24-18)21-16-8-6-15(7-9-16)20-13(2)23/h11-12,15-18,21H,3-10H2,1-2H3,(H,20,23)/t15?,16?,17-,18+/m0/s1.
What are the key properties of N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide?
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 128981450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).