3-[3-(ethylamino)propanoylamino]-3-methylbutanamide

C10H21N3O2 — CID 106096656

IUPAC3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
SMILESCCNCCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-4-12-6-5-9(15)13-10(2,3)7-8(11)14/h12H,4-7H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyHDZRBQWNWFPLCA-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.24
Rot. Bonds7

About 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide

3-[3-(ethylamino)propanoylamino]-3-methylbutanamide (PubChem CID 106096656) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
PubChem CID106096656
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
SMILESCCNCCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-4-12-6-5-9(15)13-10(2,3)7-8(11)14/h12H,4-7H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyHDZRBQWNWFPLCA-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
3-methyl-3-[4-(propan-2-ylamino)butanoylamino]butanamide
CID 106096583
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
CID 106096608
ethane;3-(ethylamino)propanamide
CID 156743022
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
3-(butylcarbamoylamino)-3-methylbutanamide
CID 106096139
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
CID 79803793
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide?
The IUPAC name of 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide (CID 106096656) is 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide?
The canonical SMILES for 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide is CCNCCC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide?
The InChIKey is HDZRBQWNWFPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-12-6-5-9(15)13-10(2,3)7-8(11)14/h12H,4-7H2,1-3H3,(H2,11,14)(H,13,15).
What are the key properties of 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide?
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide has a molecular weight of 215.30 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propanoylamino]-3-methylbutanamide is sourced from PubChem (CID 106096656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).