2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide

C11H23N3O3 — CID 106344814

IUPAC2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
SMILESCOCCNC(=O)C(C)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-7(2)9(10(12)15)14-8(3)11(16)13-5-6-17-4/h7-9,14H,5-6H2,1-4H3,(H2,12,15)(H,13,16)
InChIKeyJXIUCDRGSDKXPH-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.76
Rot. Bonds8

About 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide

2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide (PubChem CID 106344814) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
PubChem CID106344814
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
SMILESCOCCNC(=O)C(C)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-7(2)9(10(12)15)14-8(3)11(16)13-5-6-17-4/h7-9,14H,5-6H2,1-4H3,(H2,12,15)(H,13,16)
InChIKeyJXIUCDRGSDKXPH-UHFFFAOYSA-N
XLogP-0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 113407032
2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoic acid
CID 43468233
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate
CID 103390858
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide (CID 106344814) is 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide is COCCNC(=O)C(C)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The InChIKey is JXIUCDRGSDKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-7(2)9(10(12)15)14-8(3)11(16)13-5-6-17-4/h7-9,14H,5-6H2,1-4H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide has a molecular weight of 245.32 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106344814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).