N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide

C17H28N2O — CID 60720415

IUPACN-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-17(3,4)19-16(20)14(2)18-13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14,18H,5,9,12-13H2,1-4H3,(H,19,20)
InChIKeyBVEIZAODJAQWLP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.90
Rot. Bonds8

About N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide

N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide (PubChem CID 60720415) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide
PubChem CID60720415
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-17(3,4)19-16(20)14(2)18-13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14,18H,5,9,12-13H2,1-4H3,(H,19,20)
InChIKeyBVEIZAODJAQWLP-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
CID 43112752
(2S)-2-(5-phenylpentylamino)propanoic acid
CID 70498389
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
CID 43112990
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
2-[2-(dimethylamino)ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 43112399
N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide
CID 55173400
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide (CID 60720415) is N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide is CCC(C)(C)NC(=O)C(C)NCCCc1ccccc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide?
The InChIKey is BVEIZAODJAQWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(3,4)19-16(20)14(2)18-13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14,18H,5,9,12-13H2,1-4H3,(H,19,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide is sourced from PubChem (CID 60720415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).