N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide

C23H28N6O2 — CID 53121155

IUPACN-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)c1
InChIInChI=1S/C23H28N6O2/c1-15-11-16(2)13-19(12-15)26-23(31)24-9-10-29-21-8-7-17(14-20(21)27-28-29)22(30)25-18-5-3-4-6-18/h7-8,11-14,18H,3-6,9-10H2,1-2H3,(H,25,30)(H2,24,26,31)
InChIKeyUIYQYEOQCOUWQY-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.54
Rot. Bonds6

About N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide

N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide (PubChem CID 53121155) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
PubChem CID53121155
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)c1
InChIInChI=1S/C23H28N6O2/c1-15-11-16(2)13-19(12-15)26-23(31)24-9-10-29-21-8-7-17(14-20(21)27-28-29)22(30)25-18-5-3-4-6-18/h7-8,11-14,18H,3-6,9-10H2,1-2H3,(H,25,30)(H2,24,26,31)
InChIKeyUIYQYEOQCOUWQY-UHFFFAOYSA-N
XLogP3.54
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
CID 53121165
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111456
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121111
1-[2-(phenylcarbamoylamino)ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121084
ethyl 4-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121107
1-(4-bromo-3-methylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzotriazol-1-yl]ethyl]urea
CID 53120969
methyl 3-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121135
N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide
CID 53121059
1-(4-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110985
1-(3-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110994
1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
CID 50742509
1-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121118

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide (CID 53121155) is N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide is Cc1cc(C)cc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)c1.
What is the InChIKey of N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
The InChIKey is UIYQYEOQCOUWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-11-16(2)13-19(12-15)26-23(31)24-9-10-29-21-8-7-17(14-20(21)27-28-29)22(30)25-18-5-3-4-6-18/h7-8,11-14,18H,3-6,9-10H2,1-2H3,(H,25,30)(H2,24,26,31).
What are the key properties of N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53121155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).