N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide

C21H24N4O4 — CID 14638301

IUPACN-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nn(C4CCCC4)nc3c2)cc(OC)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-18-10-13(11-19(28-2)20(18)29-3)21(26)22-14-8-9-16-17(12-14)24-25(23-16)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,26)
InChIKeyKEFZQVHOGSFOSX-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.82
Rot. Bonds6

About N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide

N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 14638301) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID14638301
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nn(C4CCCC4)nc3c2)cc(OC)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-18-10-13(11-19(28-2)20(18)29-3)21(26)22-14-8-9-16-17(12-14)24-25(23-16)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,26)
InChIKeyKEFZQVHOGSFOSX-UHFFFAOYSA-N
XLogP3.82
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide
CID 14638297
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 2973116
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
CID 1077763
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide (CID 14638301) is N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3nn(C4CCCC4)nc3c2)cc(OC)c1OC.
What is the InChIKey of N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is KEFZQVHOGSFOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-27-18-10-13(11-19(28-2)20(18)29-3)21(26)22-14-8-9-16-17(12-14)24-25(23-16)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,26).
What are the key properties of N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide?
N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 396.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 14638301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).