4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

C21H32N2O2 — CID 134712104

IUPAC4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)18-6-4-16(5-7-18)20(24)23-19-14-25-13-17(19)12-15-8-10-22-11-9-15/h8-11,16-19H,4-7,12-14H2,1-3H3,(H,23,24)/t16?,17-,18?,19-/m1/s1
InChIKeySEOMWEXJRKOTAP-JWHDQAAXSA-N
MW344.50 g/mol
LogP3.61
Rot. Bonds4

About 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (PubChem CID 134712104) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
PubChem CID134712104
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)18-6-4-16(5-7-18)20(24)23-19-14-25-13-17(19)12-15-8-10-22-11-9-15/h8-11,16-19H,4-7,12-14H2,1-3H3,(H,23,24)/t16?,17-,18?,19-/m1/s1
InChIKeySEOMWEXJRKOTAP-JWHDQAAXSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135096686
1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135092036
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135107430
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
1-(4-ethylphenyl)-3-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 156584114
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 155919724

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (CID 134712104) is 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is SEOMWEXJRKOTAP-JWHDQAAXSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(2,3)18-6-4-16(5-7-18)20(24)23-19-14-25-13-17(19)12-15-8-10-22-11-9-15/h8-11,16-19H,4-7,12-14H2,1-3H3,(H,23,24)/t16?,17-,18?,19-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 134712104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).