4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide

C20H29N5O — CID 22992904

IUPAC4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
SMILESCCCCn1nnnc1-c1ccc(C(=O)NCC2CCCC2(C)C)cc1
InChIInChI=1S/C20H29N5O/c1-4-5-13-25-18(22-23-24-25)15-8-10-16(11-9-15)19(26)21-14-17-7-6-12-20(17,2)3/h8-11,17H,4-7,12-14H2,1-3H3,(H,21,26)
InChIKeyQEIPJDQUOZXYFJ-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.70
Rot. Bonds7

About 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide

4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide (PubChem CID 22992904) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
PubChem CID22992904
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
SMILESCCCCn1nnnc1-c1ccc(C(=O)NCC2CCCC2(C)C)cc1
InChIInChI=1S/C20H29N5O/c1-4-5-13-25-18(22-23-24-25)15-8-10-16(11-9-15)19(26)21-14-17-7-6-12-20(17,2)3/h8-11,17H,4-7,12-14H2,1-3H3,(H,21,26)
InChIKeyQEIPJDQUOZXYFJ-UHFFFAOYSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide 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

4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
CID 59913448
N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 22992855
N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide
CID 21361573
N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(4,4,4-trifluorobutyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 21361558
N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide
CID 21361588
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide
CID 21361552
1-(4-acetylphenyl)heptane-1,3-dione;4-(5-butyl-1H-pyrazol-3-yl)benzoic acid;4-(5-butyl-1H-pyrazol-3-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide;1-[4-(5-butyl-1H-pyrazol-3-yl)phenyl]ethanone;(2,2-dimethylcyclopentyl)methanamine;methanol
CID 160545090
N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzamide
CID 23541046
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
(E)-3-(4-acetylphenyl)-N-[(2,2-dimethylcyclopentyl)methyl]prop-2-enamide;N'-hydroxypentanimidamide
CID 91394242

Frequently Asked Questions

What is the IUPAC name of 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide (CID 22992904) is 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide is CCCCn1nnnc1-c1ccc(C(=O)NCC2CCCC2(C)C)cc1.
What is the InChIKey of 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The InChIKey is QEIPJDQUOZXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-5-13-25-18(22-23-24-25)15-8-10-16(11-9-15)19(26)21-14-17-7-6-12-20(17,2)3/h8-11,17H,4-7,12-14H2,1-3H3,(H,21,26).
What are the key properties of 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide has a molecular weight of 355.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 22992904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).