N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide

C14H30N2O — CID 59467491

IUPACN-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide
SMILESCN(C)CCN(C(=O)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-13(2,3)11-12(17)16(14(4,5)6)10-9-15(7)8/h9-11H2,1-8H3
InChIKeyWTDJTDLFMQAKMO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.61
Rot. Bonds4

About N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide

N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide (PubChem CID 59467491) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide
PubChem CID59467491
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide
SMILESCN(C)CCN(C(=O)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-13(2,3)11-12(17)16(14(4,5)6)10-9-15(7)8/h9-11H2,1-8H3
InChIKeyWTDJTDLFMQAKMO-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide (CID 59467491) is N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide is CN(C)CCN(C(=O)CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide?
The InChIKey is WTDJTDLFMQAKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,3)11-12(17)16(14(4,5)6)10-9-15(7)8/h9-11H2,1-8H3.
What are the key properties of N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide?
N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide has a molecular weight of 242.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 59467491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).