3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide

C19H29N5O2 — CID 166374050

IUPAC3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide
SMILESCCC(CC(=O)NC1CN(C(=O)C2CCc3n[nH]nc3C2)C1)C1CCC1
InChIInChI=1S/C19H29N5O2/c1-2-12(13-4-3-5-13)9-18(25)20-15-10-24(11-15)19(26)14-6-7-16-17(8-14)22-23-21-16/h12-15H,2-11H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyPQRDTPOXKQDOSE-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.45
Rot. Bonds6

About 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide

3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide (PubChem CID 166374050) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide
PubChem CID166374050
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide
SMILESCCC(CC(=O)NC1CN(C(=O)C2CCc3n[nH]nc3C2)C1)C1CCC1
InChIInChI=1S/C19H29N5O2/c1-2-12(13-4-3-5-13)9-18(25)20-15-10-24(11-15)19(26)14-6-7-16-17(8-14)22-23-21-16/h12-15H,2-11H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyPQRDTPOXKQDOSE-UHFFFAOYSA-N
XLogP1.45
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide?
The IUPAC name of 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide (CID 166374050) is 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide.
What is the SMILES notation for 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide?
The canonical SMILES for 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide is CCC(CC(=O)NC1CN(C(=O)C2CCc3n[nH]nc3C2)C1)C1CCC1.
What is the InChIKey of 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide?
The InChIKey is PQRDTPOXKQDOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-2-12(13-4-3-5-13)9-18(25)20-15-10-24(11-15)19(26)14-6-7-16-17(8-14)22-23-21-16/h12-15H,2-11H2,1H3,(H,20,25)(H,21,22,23).
What are the key properties of 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide?
3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide has a molecular weight of 359.47 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[1-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)azetidin-3-yl]pentanamide is sourced from PubChem (CID 166374050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).