3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide

C10H21N3O2 — CID 103914253

IUPAC3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
SMILESCC(C)NC(=O)CNC(C(N)=O)C(C)C
InChIInChI=1S/C10H21N3O2/c1-6(2)9(10(11)15)12-5-8(14)13-7(3)4/h6-7,9,12H,5H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyFRQGQBNHVITJGZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.39
Rot. Bonds6

About 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide

3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide (PubChem CID 103914253) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
PubChem CID103914253
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
SMILESCC(C)NC(=O)CNC(C(N)=O)C(C)C
InChIInChI=1S/C10H21N3O2/c1-6(2)9(10(11)15)12-5-8(14)13-7(3)4/h6-7,9,12H,5H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyFRQGQBNHVITJGZ-UHFFFAOYSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate
CID 60690899
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
3-methyl-2-(propan-2-ylcarbamothioylamino)butanamide
CID 106344675
(2S)-2-amino-N-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 103884969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide (CID 103914253) is 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide is CC(C)NC(=O)CNC(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide?
The InChIKey is FRQGQBNHVITJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-6(2)9(10(11)15)12-5-8(14)13-7(3)4/h6-7,9,12H,5H2,1-4H3,(H2,11,15)(H,13,14).
What are the key properties of 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide?
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide has a molecular weight of 215.30 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide is sourced from PubChem (CID 103914253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).