2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide

C19H40N2O — CID 20759424

IUPAC2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide
SMILESCCN(CC)CCCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H40N2O/c1-10-21(11-2)14-12-13-20-16(22)19(9,18(6,7)8)15-17(3,4)5/h10-15H2,1-9H3,(H,20,22)
InChIKeySULGPXPKSRTEFU-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.32
Rot. Bonds8

About 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide

2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide (PubChem CID 20759424) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide
PubChem CID20759424
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide
SMILESCCN(CC)CCCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H40N2O/c1-10-21(11-2)14-12-13-20-16(22)19(9,18(6,7)8)15-17(3,4)5/h10-15H2,1-9H3,(H,20,22)
InChIKeySULGPXPKSRTEFU-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide (CID 20759424) is 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide is CCN(CC)CCCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide?
The InChIKey is SULGPXPKSRTEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-10-21(11-2)14-12-13-20-16(22)19(9,18(6,7)8)15-17(3,4)5/h10-15H2,1-9H3,(H,20,22).
What are the key properties of 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide?
2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide has a molecular weight of 312.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(diethylamino)propyl]-2,4,4-trimethylpentanamide is sourced from PubChem (CID 20759424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).