N-tert-butyl-3-(2-ethylbutylamino)propanamide

C13H28N2O — CID 115756724

IUPACN-tert-butyl-3-(2-ethylbutylamino)propanamide
SMILESCCC(CC)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-11(7-2)10-14-9-8-12(16)15-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyWZTHUDKCLYWMTJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds7

About N-tert-butyl-3-(2-ethylbutylamino)propanamide

N-tert-butyl-3-(2-ethylbutylamino)propanamide (PubChem CID 115756724) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-tert-butyl-3-(2-ethylbutylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-ethylbutylamino)propanamide
PubChem CID115756724
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-tert-butyl-3-(2-ethylbutylamino)propanamide
SMILESCCC(CC)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-11(7-2)10-14-9-8-12(16)15-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyWZTHUDKCLYWMTJ-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
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

N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 115605400
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
CID 107263051
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
N,N'-ditert-butylhexanediamide
CID 3593481
(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
CID 103833053
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-tert-butyl-3-(4-methoxybutylamino)propanamide
CID 115605378

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-ethylbutylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(2-ethylbutylamino)propanamide (CID 115756724) is N-tert-butyl-3-(2-ethylbutylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-ethylbutylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-ethylbutylamino)propanamide is CCC(CC)CNCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2-ethylbutylamino)propanamide?
The InChIKey is WZTHUDKCLYWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-11(7-2)10-14-9-8-12(16)15-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-3-(2-ethylbutylamino)propanamide?
N-tert-butyl-3-(2-ethylbutylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-ethylbutylamino)propanamide is sourced from PubChem (CID 115756724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).