N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide

C10H21N3O2 — CID 58806845

IUPACN-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N(C)NCC(C)C
InChIInChI=1S/C10H21N3O2/c1-7(2)6-11-13(5)10(15)8(3)12-9(4)14/h7-8,11H,6H2,1-5H3,(H,12,14)
InChIKeyXDQYHUJQVBCQLO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.13
Rot. Bonds5

About N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide

N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide (PubChem CID 58806845) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide
PubChem CID58806845
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N(C)NCC(C)C
InChIInChI=1S/C10H21N3O2/c1-7(2)6-11-13(5)10(15)8(3)12-9(4)14/h7-8,11H,6H2,1-5H3,(H,12,14)
InChIKeyXDQYHUJQVBCQLO-UHFFFAOYSA-N
XLogP0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide (CID 58806845) is N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)N(C)NCC(C)C.
What is the InChIKey of N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide?
The InChIKey is XDQYHUJQVBCQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)6-11-13(5)10(15)8(3)12-9(4)14/h7-8,11H,6H2,1-5H3,(H,12,14).
What are the key properties of N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide?
N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide has a molecular weight of 215.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[methyl-(2-methylpropylamino)amino]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 58806845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).