N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide

C16H29N3O3 — CID 134349260

IUPACN-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide
SMILESCC(C(=O)C(=O)NCC1CCCCC1)N(C)C(=O)CN(C)C
InChIInChI=1S/C16H29N3O3/c1-12(19(4)14(20)11-18(2)3)15(21)16(22)17-10-13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3,(H,17,22)
InChIKeyOXCDEKNCZWITFK-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.66
Rot. Bonds7

About N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide

N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide (PubChem CID 134349260) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide
PubChem CID134349260
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide
SMILESCC(C(=O)C(=O)NCC1CCCCC1)N(C)C(=O)CN(C)C
InChIInChI=1S/C16H29N3O3/c1-12(19(4)14(20)11-18(2)3)15(21)16(22)17-10-13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3,(H,17,22)
InChIKeyOXCDEKNCZWITFK-UHFFFAOYSA-N
XLogP0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide (CID 134349260) is N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide is CC(C(=O)C(=O)NCC1CCCCC1)N(C)C(=O)CN(C)C.
What is the InChIKey of N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide?
The InChIKey is OXCDEKNCZWITFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(19(4)14(20)11-18(2)3)15(21)16(22)17-10-13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3,(H,17,22).
What are the key properties of N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide?
N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide has a molecular weight of 311.43 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[[2-(dimethylamino)acetyl]-methylamino]-2-oxobutanamide is sourced from PubChem (CID 134349260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).