3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide

C9H19N3O2 — CID 43553529

IUPAC3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
SMILESCC(C)N(C)C(=O)CNCCC(N)=O
InChIInChI=1S/C9H19N3O2/c1-7(2)12(3)9(14)6-11-5-4-8(10)13/h7,11H,4-6H2,1-3H3,(H2,10,13)
InChIKeyXOVINVKLSFJGES-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.68
Rot. Bonds6

About 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide

3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide (PubChem CID 43553529) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
PubChem CID43553529
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
SMILESCC(C)N(C)C(=O)CNCCC(N)=O
InChIInChI=1S/C9H19N3O2/c1-7(2)12(3)9(14)6-11-5-4-8(10)13/h7,11H,4-6H2,1-3H3,(H2,10,13)
InChIKeyXOVINVKLSFJGES-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.68
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

2-(2-acetamidoethylamino)-N-methyl-N-propan-2-ylacetamide
CID 43401676
N-cyclopropyl-3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 79393868
N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide
CID 116643823
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
N-methyl-2-(2-methylbutylamino)-N-propan-2-ylacetamide
CID 62691596
2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62616475
2-amino-N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]acetamide
CID 60847744
3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
CID 106437480
2-(2,2-dimethylbutylamino)-N-methyl-N-propan-2-ylacetamide
CID 103461330
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide (CID 43553529) is 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide is CC(C)N(C)C(=O)CNCCC(N)=O.
What is the InChIKey of 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide?
The InChIKey is XOVINVKLSFJGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)12(3)9(14)6-11-5-4-8(10)13/h7,11H,4-6H2,1-3H3,(H2,10,13).
What are the key properties of 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide?
3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide has a molecular weight of 201.27 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43553529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).