1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide

C23H33N5O4 — CID 26350594

IUPAC1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NC(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C23H33N5O4/c1-5-27(6-2)23(30)19-15-28(26-25-19)18-10-8-17(9-11-18)24-22(29)14-16-7-12-20(31-3)21(13-16)32-4/h7,12-13,15,17-18H,5-6,8-11,14H2,1-4H3,(H,24,29)
InChIKeyGSSPNXLUKQFIQL-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.62
Rot. Bonds9

About 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide

1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide (PubChem CID 26350594) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide
PubChem CID26350594
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Name1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NC(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C23H33N5O4/c1-5-27(6-2)23(30)19-15-28(26-25-19)18-10-8-17(9-11-18)24-22(29)14-16-7-12-20(31-3)21(13-16)32-4/h7,12-13,15,17-18H,5-6,8-11,14H2,1-4H3,(H,24,29)
InChIKeyGSSPNXLUKQFIQL-UHFFFAOYSA-N
XLogP2.62
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-1-[4-[[2-(1-methylpyrrol-3-yl)acetyl]amino]cyclohexyl]triazole-4-carboxamide
CID 42192714
N,N-diethyl-1-[4-[(2-phenoxyacetyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42368275
N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42383193
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42382756
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119690220

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide?
The IUPAC name of 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide (CID 26350594) is 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCC(NC(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1.
What is the InChIKey of 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide?
The InChIKey is GSSPNXLUKQFIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-5-27(6-2)23(30)19-15-28(26-25-19)18-10-8-17(9-11-18)24-22(29)14-16-7-12-20(31-3)21(13-16)32-4/h7,12-13,15,17-18H,5-6,8-11,14H2,1-4H3,(H,24,29).
What are the key properties of 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide?
1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]cyclohexyl]-N,N-diethyltriazole-4-carboxamide is sourced from PubChem (CID 26350594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).