N-(4-phenylbutan-2-yl)morpholine-4-carboxamide

C15H22N2O2 — CID 2915222

IUPACN-(4-phenylbutan-2-yl)morpholine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-13(7-8-14-5-3-2-4-6-14)16-15(18)17-9-11-19-12-10-17/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyBSZMROMTNPYXEK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.05
Rot. Bonds4

About N-(4-phenylbutan-2-yl)morpholine-4-carboxamide

N-(4-phenylbutan-2-yl)morpholine-4-carboxamide (PubChem CID 2915222) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)morpholine-4-carboxamide
PubChem CID2915222
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-phenylbutan-2-yl)morpholine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-13(7-8-14-5-3-2-4-6-14)16-15(18)17-9-11-19-12-10-17/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyBSZMROMTNPYXEK-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylbutan-2-yl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)morpholine-4-carboxamide (CID 2915222) is N-(4-phenylbutan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)morpholine-4-carboxamide is CC(CCc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-(4-phenylbutan-2-yl)morpholine-4-carboxamide?
The InChIKey is BSZMROMTNPYXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13(7-8-14-5-3-2-4-6-14)16-15(18)17-9-11-19-12-10-17/h2-6,13H,7-12H2,1H3,(H,16,18).
What are the key properties of N-(4-phenylbutan-2-yl)morpholine-4-carboxamide?
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 2915222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).