1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide

C17H29N5O2 — CID 42364382

IUPAC1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCC(NC(=O)C(C)(C)C)CC2)nn1
InChIInChI=1S/C17H29N5O2/c1-11(2)18-15(23)14-10-22(21-20-14)13-8-6-12(7-9-13)19-16(24)17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyBFKOGYUEGSYISZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.06
Rot. Bonds4

About 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide

1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 42364382) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID42364382
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCC(NC(=O)C(C)(C)C)CC2)nn1
InChIInChI=1S/C17H29N5O2/c1-11(2)18-15(23)14-10-22(21-20-14)13-8-6-12(7-9-13)19-16(24)17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyBFKOGYUEGSYISZ-UHFFFAOYSA-N
XLogP2.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42430842
1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42382756
1-[4-[(5-chloro-2-hydroxyphenyl)methylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42324185
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343423
N-propan-2-yl-1-[(3R)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343421
1-(1-cyclopropyltriazol-4-yl)-2-methylpropan-1-one
CID 164754371
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119735222
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 167917069
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide (CID 42364382) is 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide is CC(C)NC(=O)c1cn(C2CCC(NC(=O)C(C)(C)C)CC2)nn1.
What is the InChIKey of 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is BFKOGYUEGSYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-11(2)18-15(23)14-10-22(21-20-14)13-8-6-12(7-9-13)19-16(24)17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,23)(H,19,24).
What are the key properties of 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 42364382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).