N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide

C15H21N3O2 — CID 146249126

IUPACN-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
SMILESNC1CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C15H21N3O2/c16-12-9-13(10-12)17-15(19)11-1-3-14(4-2-11)18-5-7-20-8-6-18/h1-4,12-13H,5-10,16H2,(H,17,19)
InChIKeyOQCVLDJBLBUHQN-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.74
Rot. Bonds3

About N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide

N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide (PubChem CID 146249126) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
PubChem CID146249126
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
SMILESNC1CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C15H21N3O2/c16-12-9-13(10-12)17-15(19)11-1-3-14(4-2-11)18-5-7-20-8-6-18/h1-4,12-13H,5-10,16H2,(H,17,19)
InChIKeyOQCVLDJBLBUHQN-UHFFFAOYSA-N
XLogP0.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide (CID 146249126) is N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide is NC1CC(NC(=O)c2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide?
The InChIKey is OQCVLDJBLBUHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-12-9-13(10-12)17-15(19)11-1-3-14(4-2-11)18-5-7-20-8-6-18/h1-4,12-13H,5-10,16H2,(H,17,19).
What are the key properties of N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide?
N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 146249126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).