cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide

C19H31N3O2 — CID 128665226

IUPACcis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide
SMILESC[C@H]1CC[C@@](C)(C(=O)NC2CCOC(c3nccn3C)C2)C1(C)C
InChIInChI=1S/C19H31N3O2/c1-13-6-8-19(4,18(13,2)3)17(23)21-14-7-11-24-15(12-14)16-20-9-10-22(16)5/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,21,23)/t13-,14?,15?,19-/m0/s1
InChIKeyQATJGPILKFYJTH-URGFFDDHSA-N
MW333.48 g/mol
LogP3.22
Rot. Bonds3

About cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide

cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide (PubChem CID 128665226) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide
PubChem CID128665226
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Namecis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide
SMILESC[C@H]1CC[C@@](C)(C(=O)NC2CCOC(c3nccn3C)C2)C1(C)C
InChIInChI=1S/C19H31N3O2/c1-13-6-8-19(4,18(13,2)3)17(23)21-14-7-11-24-15(12-14)16-20-9-10-22(16)5/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,21,23)/t13-,14?,15?,19-/m0/s1
InChIKeyQATJGPILKFYJTH-URGFFDDHSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)oxan-4-yl]-2,4,5,6-tetrahydro-1H-3-benzazocine-3-carboxamide
CID 128633399
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477022
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129330273
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 138996449
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1R,3S,5R)-3-methyl-5-phenylcyclohexyl]oxolan-3-amine
CID 129474553

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide (CID 128665226) is cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide is C[C@H]1CC[C@@](C)(C(=O)NC2CCOC(c3nccn3C)C2)C1(C)C.
What is the InChIKey of cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide?
The InChIKey is QATJGPILKFYJTH-URGFFDDHSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13-6-8-19(4,18(13,2)3)17(23)21-14-7-11-24-15(12-14)16-20-9-10-22(16)5/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,21,23)/t13-,14?,15?,19-/m0/s1.
What are the key properties of cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide?
cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1,2,2,3-tetramethyl-N-[2-(1-methylimidazol-2-yl)oxan-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 128665226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).