3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide

C19H23N5O2 — CID 166369897

IUPAC3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide
SMILESO=C(CCn1cc(C2CCC2)nn1)NC1CCc2ccccc2NC1=O
InChIInChI=1S/C19H23N5O2/c25-18(10-11-24-12-17(22-23-24)13-5-3-6-13)20-16-9-8-14-4-1-2-7-15(14)21-19(16)26/h1-2,4,7,12-13,16H,3,5-6,8-11H2,(H,20,25)(H,21,26)
InChIKeyRDUSAVDDKAYMPF-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.01
Rot. Bonds5

About 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide

3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide (PubChem CID 166369897) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide
PubChem CID166369897
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide
SMILESO=C(CCn1cc(C2CCC2)nn1)NC1CCc2ccccc2NC1=O
InChIInChI=1S/C19H23N5O2/c25-18(10-11-24-12-17(22-23-24)13-5-3-6-13)20-16-9-8-14-4-1-2-7-15(14)21-19(16)26/h1-2,4,7,12-13,16H,3,5-6,8-11H2,(H,20,25)(H,21,26)
InChIKeyRDUSAVDDKAYMPF-UHFFFAOYSA-N
XLogP2.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide
CID 139617273
3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide
CID 18651454
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313466
5-benzyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 90345429
5-benzyl-N-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 90345427
2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313209
methyl-[1-oxo-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]butan-2-yl]carbamic acid
CID 118555701
3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107317427
3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313547
(Z)-2-amino-3-(benzylamino)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)prop-2-enamide
CID 134354170
5-[(2-fluorophenyl)methyl]-N-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-pyrazole-3-carboxamide
CID 118557508

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide?
The IUPAC name of 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide (CID 166369897) is 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide.
What is the SMILES notation for 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide?
The canonical SMILES for 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide is O=C(CCn1cc(C2CCC2)nn1)NC1CCc2ccccc2NC1=O.
What is the InChIKey of 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide?
The InChIKey is RDUSAVDDKAYMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(10-11-24-12-17(22-23-24)13-5-3-6-13)20-16-9-8-14-4-1-2-7-15(14)21-19(16)26/h1-2,4,7,12-13,16H,3,5-6,8-11H2,(H,20,25)(H,21,26).
What are the key properties of 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide?
3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide has a molecular weight of 353.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide is sourced from PubChem (CID 166369897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).