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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Related Compounds

ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate
CID 10215894
2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide
CID 12923164
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
5-methyl-2-naphthalen-1-yl-2-[2-(propylamino)ethyl]hex-4-enamide
CID 21117341
4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
CID 116694445
2-benzyl-5-(methylamino)-2-phenylhexanamide
CID 174298309
2-phenyl-2-propan-2-yloctanamide
CID 141169465
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
2,2-diphenylhexanamide;hydrochloride
CID 142429226
2-bromo-2-phenylheptanamide
CID 57012582
2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide
CID 12923157
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165

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).