1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide

C22H25N5O2 — CID 46296501

IUPAC1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-7-10-17(11-8-15)23-21(28)14-26(2)22(29)16-9-12-20-19(13-16)24-25-27(20)18-5-3-4-6-18/h7-13,18H,3-6,14H2,1-2H3,(H,23,28)
InChIKeyZUUPEIPNZXRDHE-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.57
Rot. Bonds5

About 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide

1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide (PubChem CID 46296501) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide
PubChem CID46296501
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-7-10-17(11-8-15)23-21(28)14-26(2)22(29)16-9-12-20-19(13-16)24-25-27(20)18-5-3-4-6-18/h7-13,18H,3-6,14H2,1-2H3,(H,23,28)
InChIKeyZUUPEIPNZXRDHE-UHFFFAOYSA-N
XLogP3.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(1-cyclopentylbenzotriazole-5-carbonyl)amino]benzoate
CID 53051674
N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296374
1-ethyl-N-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzotriazole-5-carboxamide
CID 46296446
1-cyclohexyl-N-[(2R)-2-(dimethylamino)-3-methylbutyl]benzotriazole-5-carboxamide
CID 92613233
1-cyclohexyl-N-[(2S)-2-(dimethylamino)-3-methylbutyl]benzotriazole-5-carboxamide
CID 92613232
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-1-propan-2-ylbenzotriazole-5-carboxamide
CID 46296466
1-cyclohexylbenzotriazole-5-carboxamide
CID 53015649
N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406517
1-cyclohexylbenzotriazole-5-carboxylate
CID 7013530
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296398
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide (CID 46296501) is 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide?
The InChIKey is ZUUPEIPNZXRDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-7-10-17(11-8-15)23-21(28)14-26(2)22(29)16-9-12-20-19(13-16)24-25-27(20)18-5-3-4-6-18/h7-13,18H,3-6,14H2,1-2H3,(H,23,28).
What are the key properties of 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide?
1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 46296501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).