N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide

C22H26N6O3 — CID 53121165

IUPACN-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)cc1
InChIInChI=1S/C22H26N6O3/c1-31-18-9-7-17(8-10-18)25-22(30)23-12-13-28-20-11-6-15(14-19(20)26-27-28)21(29)24-16-4-2-3-5-16/h6-11,14,16H,2-5,12-13H2,1H3,(H,24,29)(H2,23,25,30)
InChIKeyCKQNOQGOQYOETE-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.93
Rot. Bonds7

About N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide

N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide (PubChem CID 53121165) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
PubChem CID53121165
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)cc1
InChIInChI=1S/C22H26N6O3/c1-31-18-9-7-17(8-10-18)25-22(30)23-12-13-28-20-11-6-15(14-19(20)26-27-28)21(29)24-16-4-2-3-5-16/h6-11,14,16H,2-5,12-13H2,1H3,(H,24,29)(H2,23,25,30)
InChIKeyCKQNOQGOQYOETE-UHFFFAOYSA-N
XLogP2.93
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-[2-[(3,5-dimethylphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide
CID 53121155
1-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121118
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
N-cyclohexyl-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111392
methyl 3-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121135
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111456
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide
CID 53121059
1-(4-bromo-3-methylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzotriazol-1-yl]ethyl]urea
CID 53120969
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide (CID 53121165) is N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide is COc1ccc(NC(=O)NCCn2nnc3cc(C(=O)NC4CCCC4)ccc32)cc1.
What is the InChIKey of N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
The InChIKey is CKQNOQGOQYOETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-31-18-9-7-17(8-10-18)25-22(30)23-12-13-28-20-11-6-15(14-19(20)26-27-28)21(29)24-16-4-2-3-5-16/h6-11,14,16H,2-5,12-13H2,1H3,(H,24,29)(H2,23,25,30).
What are the key properties of N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide?
N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53121165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).