3-[(2-propoxyacetyl)amino]butanamide

C9H18N2O3 — CID 103711750

IUPAC3-[(2-propoxyacetyl)amino]butanamide
SMILESCCCOCC(=O)NC(C)CC(N)=O
InChIInChI=1S/C9H18N2O3/c1-3-4-14-6-9(13)11-7(2)5-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyFSQMBOUOIPTAND-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds7

About 3-[(2-propoxyacetyl)amino]butanamide

3-[(2-propoxyacetyl)amino]butanamide (PubChem CID 103711750) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(2-propoxyacetyl)amino]butanamide.

Molecular Properties

Compound Name3-[(2-propoxyacetyl)amino]butanamide
PubChem CID103711750
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(2-propoxyacetyl)amino]butanamide
SMILESCCCOCC(=O)NC(C)CC(N)=O
InChIInChI=1S/C9H18N2O3/c1-3-4-14-6-9(13)11-7(2)5-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyFSQMBOUOIPTAND-UHFFFAOYSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propoxyethylamino)butanamide
CID 106452583
3-(3-propoxypropanoylamino)butanoic acid
CID 62686783
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
CID 107940590
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957
2-[(2-amino-2-oxoethoxy)amino]-N-pentan-2-ylacetamide
CID 112673773
(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
CID 28778474

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propoxyacetyl)amino]butanamide?
The IUPAC name of 3-[(2-propoxyacetyl)amino]butanamide (CID 103711750) is 3-[(2-propoxyacetyl)amino]butanamide.
What is the SMILES notation for 3-[(2-propoxyacetyl)amino]butanamide?
The canonical SMILES for 3-[(2-propoxyacetyl)amino]butanamide is CCCOCC(=O)NC(C)CC(N)=O.
What is the InChIKey of 3-[(2-propoxyacetyl)amino]butanamide?
The InChIKey is FSQMBOUOIPTAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-4-14-6-9(13)11-7(2)5-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-[(2-propoxyacetyl)amino]butanamide?
3-[(2-propoxyacetyl)amino]butanamide has a molecular weight of 202.25 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propoxyacetyl)amino]butanamide is sourced from PubChem (CID 103711750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).