2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide

C11H23N3O2 — CID 106344993

IUPAC2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide
SMILESCCNCC(C)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-13-6-8(4)11(16)14-9(7(2)3)10(12)15/h7-9,13H,5-6H2,1-4H3,(H2,12,15)(H,14,16)
InChIKeyWTGGKXXBQIEZAS-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.14
Rot. Bonds7

About 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide

2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide (PubChem CID 106344993) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide
PubChem CID106344993
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide
SMILESCCNCC(C)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-13-6-8(4)11(16)14-9(7(2)3)10(12)15/h7-9,13H,5-6H2,1-4H3,(H2,12,15)(H,14,16)
InChIKeyWTGGKXXBQIEZAS-UHFFFAOYSA-N
XLogP-0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-2-methylpropanamide
CID 43311981
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 166997811
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
3-methyl-2-(propanoylamino)butanamide
CID 22574980
4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
CID 62838558
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
N-ethoxy-3-(ethylamino)-2-methylpropanamide
CID 64974607
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2R)-2-acetamido-3-methylbutanamide
CID 40561650

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide (CID 106344993) is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide is CCNCC(C)C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide?
The InChIKey is WTGGKXXBQIEZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-13-6-8(4)11(16)14-9(7(2)3)10(12)15/h7-9,13H,5-6H2,1-4H3,(H2,12,15)(H,14,16).
What are the key properties of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide?
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106344993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).