N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide

C14H25N3O4 — CID 21338645

IUPACN,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide
SMILESCNC(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)(C)C(C)=O
InChIInChI=1S/C14H25N3O4/c1-8(11(19)15-6)16-12(20)9(2)17(7)13(21)14(4,5)10(3)18/h8-9H,1-7H3,(H,15,19)(H,16,20)
InChIKeyOKZHOMZPIRIIAF-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.30
Rot. Bonds6

About N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide

N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide (PubChem CID 21338645) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide
PubChem CID21338645
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide
SMILESCNC(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)(C)C(C)=O
InChIInChI=1S/C14H25N3O4/c1-8(11(19)15-6)16-12(20)9(2)17(7)13(21)14(4,5)10(3)18/h8-9H,1-7H3,(H,15,19)(H,16,20)
InChIKeyOKZHOMZPIRIIAF-UHFFFAOYSA-N
XLogP-0.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide?
The IUPAC name of N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide (CID 21338645) is N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide?
The canonical SMILES for N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide is CNC(=O)C(C)NC(=O)C(C)N(C)C(=O)C(C)(C)C(C)=O.
What is the InChIKey of N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide?
The InChIKey is OKZHOMZPIRIIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-8(11(19)15-6)16-12(20)9(2)17(7)13(21)14(4,5)10(3)18/h8-9H,1-7H3,(H,15,19)(H,16,20).
What are the key properties of N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide?
N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide has a molecular weight of 299.37 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-oxobutanamide is sourced from PubChem (CID 21338645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).