N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide

C16H27N3O5 — CID 134420255

IUPACN,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide
SMILESCC(=O)C(C)C(=O)N(C)CCN(C)C(=O)CC(=O)CC(=O)N(C)C
InChIInChI=1S/C16H27N3O5/c1-11(12(2)20)16(24)19(6)8-7-18(5)15(23)10-13(21)9-14(22)17(3)4/h11H,7-10H2,1-6H3
InChIKeyXOXIKNAPOGEAAR-UHFFFAOYSA-N
MW341.41 g/mol
LogP-0.43
Rot. Bonds9

About N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide

N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide (PubChem CID 134420255) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide
PubChem CID134420255
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC NameN,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide
SMILESCC(=O)C(C)C(=O)N(C)CCN(C)C(=O)CC(=O)CC(=O)N(C)C
InChIInChI=1S/C16H27N3O5/c1-11(12(2)20)16(24)19(6)8-7-18(5)15(23)10-13(21)9-14(22)17(3)4/h11H,7-10H2,1-6H3
InChIKeyXOXIKNAPOGEAAR-UHFFFAOYSA-N
XLogP-0.43
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N,2-dimethyl-3-oxobutanamide
CID 18683063
N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
CID 20664951
N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
4-but-3-en-2-yloxy-N,N-dimethyl-3-oxobutanamide
CID 86085209
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylpropanamide
CID 115674309
N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide
CID 15211329
N,N-dimethyl-3-oxoheptanamide
CID 86682301
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
N-[2-[ethylamino(methyl)amino]ethyl]-N,2-dimethylpropanamide
CID 170712401
2-acetamido-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60670692
2-(dimethylamino)-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 165447342

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide?
The IUPAC name of N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide (CID 134420255) is N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide is CC(=O)C(C)C(=O)N(C)CCN(C)C(=O)CC(=O)CC(=O)N(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide?
The InChIKey is XOXIKNAPOGEAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-11(12(2)20)16(24)19(6)8-7-18(5)15(23)10-13(21)9-14(22)17(3)4/h11H,7-10H2,1-6H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide?
N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide has a molecular weight of 341.41 g/mol, XLogP of -0.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-[methyl-(2-methyl-3-oxobutanoyl)amino]ethyl]-3-oxopentanediamide is sourced from PubChem (CID 134420255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).