1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide

C21H29N5O4 — CID 42430842

IUPAC1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c1
InChIInChI=1S/C21H29N5O4/c1-13(2)22-21(28)19-12-26(25-24-19)16-7-5-15(6-8-16)23-20(27)14-9-17(29-3)11-18(10-14)30-4/h9-13,15-16H,5-8H2,1-4H3,(H,22,28)(H,23,27)
InChIKeyMHNPFOAZNKCLHA-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.35
Rot. Bonds7

About 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide

1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 42430842) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID42430842
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c1
InChIInChI=1S/C21H29N5O4/c1-13(2)22-21(28)19-12-26(25-24-19)16-7-5-15(6-8-16)23-20(27)14-9-17(29-3)11-18(10-14)30-4/h9-13,15-16H,5-8H2,1-4H3,(H,22,28)(H,23,27)
InChIKeyMHNPFOAZNKCLHA-UHFFFAOYSA-N
XLogP2.35
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42364382
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42382756
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
CID 42376894
1-[4-[(5-chloro-2-hydroxyphenyl)methylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42324185
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 26337547
N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42419244
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide (CID 42430842) is 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide is COc1cc(OC)cc(C(=O)NC2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c1.
What is the InChIKey of 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is MHNPFOAZNKCLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-13(2)22-21(28)19-12-26(25-24-19)16-7-5-15(6-8-16)23-20(27)14-9-17(29-3)11-18(10-14)30-4/h9-13,15-16H,5-8H2,1-4H3,(H,22,28)(H,23,27).
What are the key properties of 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide?
1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 42430842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).