[[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate

C14H20N2O3 — CID 59280991

IUPAC[[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate
SMILESCC(C)C(=O)ON(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)14(18)19-16(5)13(17)11-6-8-12(9-7-11)15(3)4/h6-10H,1-5H3
InChIKeyCGNRAJYCHSIAMC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.94
Rot. Bonds3

About [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate

[[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate (PubChem CID 59280991) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate.

Molecular Properties

Compound Name[[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate
PubChem CID59280991
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate
SMILESCC(C)C(=O)ON(C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)14(18)19-16(5)13(17)11-6-8-12(9-7-11)15(3)4/h6-10H,1-5H3
InChIKeyCGNRAJYCHSIAMC-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trichostatin A
CID 444732
N-Acetylprocainamide
CID 4342
4-(Dimethylamino)Benzaldehyde
CID 7479
Acecainide Hydrochloride
CID 71417
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
Cpi 1189
CID 151118
SK-7041
CID 6918714
(-)-Trichostatin A
CID 13507024
4-amino-N,N-diethylbenzamide
CID 458760
4-Dimethylaminoacetophenone
CID 75037
2,3-Dihydrotrichostatin A
CID 56683355
N,N-Dimethyl-4-nitro-benzamide
CID 138975

Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate?
The IUPAC name of [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate (CID 59280991) is [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate.
What is the SMILES notation for [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate?
The canonical SMILES for [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate is CC(C)C(=O)ON(C)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate?
The InChIKey is CGNRAJYCHSIAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)14(18)19-16(5)13(17)11-6-8-12(9-7-11)15(3)4/h6-10H,1-5H3.
What are the key properties of [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate?
[[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)benzoyl]-methylamino] 2-methylpropanoate is sourced from PubChem (CID 59280991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).