N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide

C15H26N4O2 — CID 164640798

IUPACN-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCCC(C)(C)O2)nnn1C(C)C
InChIInChI=1S/C15H26N4O2/c1-10(2)19-11(3)13(17-18-19)14(20)16-9-12-7-6-8-15(4,5)21-12/h10,12H,6-9H2,1-5H3,(H,16,20)/t12-/m1/s1
InChIKeyMYCPCAMRHRDKDQ-GFCCVEGCSA-N
MW294.40 g/mol
LogP2.24
Rot. Bonds4

About N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide

N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide (PubChem CID 164640798) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
PubChem CID164640798
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCCC(C)(C)O2)nnn1C(C)C
InChIInChI=1S/C15H26N4O2/c1-10(2)19-11(3)13(17-18-19)14(20)16-9-12-7-6-8-15(4,5)21-12/h10,12H,6-9H2,1-5H3,(H,16,20)/t12-/m1/s1
InChIKeyMYCPCAMRHRDKDQ-GFCCVEGCSA-N
XLogP2.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 126793407
N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 136567701
N-[1-[(2-cyclopropyl-2-hydroxyacetyl)amino]-2-methylpropan-2-yl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
CID 167778298
N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 136567685
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide
CID 164646624
N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
CID 159631931
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
CID 164637668
N-(5-chloro-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)-2-[(2R)-6,6-dimethyloxan-2-yl]acetamide
CID 129141383
1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The IUPAC name of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide (CID 164640798) is N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide is Cc1c(C(=O)NC[C@H]2CCCC(C)(C)O2)nnn1C(C)C.
What is the InChIKey of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
The InChIKey is MYCPCAMRHRDKDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)19-11(3)13(17-18-19)14(20)16-9-12-7-6-8-15(4,5)21-12/h10,12H,6-9H2,1-5H3,(H,16,20)/t12-/m1/s1.
What are the key properties of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide?
N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 164640798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).