2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide

C21H37N3O — CID 21320521

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide
SMILESCCCNCCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1
InChIInChI=1S/C21H37N3O/c1-6-14-23-15-12-21(20(22)25,19-10-8-7-9-11-19)13-16-24(17(2)3)18(4)5/h7-11,17-18,23H,6,12-16H2,1-5H3,(H2,22,25)
InChIKeyJBYWPXYOSGBFKY-UHFFFAOYSA-N
MW347.55 g/mol
LogP3.31
Rot. Bonds12

About 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide

2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide (PubChem CID 21320521) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide
PubChem CID21320521
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide
SMILESCCCNCCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1
InChIInChI=1S/C21H37N3O/c1-6-14-23-15-12-21(20(22)25,19-10-8-7-9-11-19)13-16-24(17(2)3)18(4)5/h7-11,17-18,23H,6,12-16H2,1-5H3,(H2,22,25)
InChIKeyJBYWPXYOSGBFKY-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide (CID 21320521) is 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide is CCCNCCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide?
The InChIKey is JBYWPXYOSGBFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-6-14-23-15-12-21(20(22)25,19-10-8-7-9-11-19)13-16-24(17(2)3)18(4)5/h7-11,17-18,23H,6,12-16H2,1-5H3,(H2,22,25).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide?
2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide has a molecular weight of 347.55 g/mol, XLogP of 3.31, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(propylamino)butanamide is sourced from PubChem (CID 21320521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).