3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide

C11H23N3O2 — CID 62625373

IUPAC3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-9(2)13-10(15)5-7-12-8-6-11(16)14(3)4/h9,12H,5-8H2,1-4H3,(H,13,15)
InChIKeyFTCYAMJNVGIXOV-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.03
Rot. Bonds7

About 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide

3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide (PubChem CID 62625373) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
PubChem CID62625373
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-9(2)13-10(15)5-7-12-8-6-11(16)14(3)4/h9,12H,5-8H2,1-4H3,(H,13,15)
InChIKeyFTCYAMJNVGIXOV-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.03
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

ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 43214984
3-[2-[cyclopentyl(methyl)amino]ethylamino]-N-propan-2-ylpropanamide
CID 63318608
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
CID 113410009
N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325729
N-propan-2-yl-3-(3-propoxypropylamino)propanamide
CID 82942492
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
CID 106310415
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
3-(but-3-ynylamino)-N,N-dimethylpropanamide
CID 63656065

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide (CID 62625373) is 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCCC(=O)N(C)C.
What is the InChIKey of 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is FTCYAMJNVGIXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)13-10(15)5-7-12-8-6-11(16)14(3)4/h9,12H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide?
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 229.32 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62625373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).