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

C18H38N2O — CID 21018113

IUPAC2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
SMILESCCN(CC)CCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O/c1-9-20(10-2)13-11-12-19-16(21)15(18(6,7)8)14-17(3,4)5/h15H,9-14H2,1-8H3,(H,19,21)
InChIKeyBJGZCSSHMFJCKJ-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.93
Rot. Bonds8

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

2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide (PubChem CID 21018113) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
PubChem CID21018113
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
SMILESCCN(CC)CCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O/c1-9-20(10-2)13-11-12-19-16(21)15(18(6,7)8)14-17(3,4)5/h15H,9-14H2,1-8H3,(H,19,21)
InChIKeyBJGZCSSHMFJCKJ-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.93
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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Related Compounds

N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
N-ethyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11480684
Valeramide, N-(3-(diethylamino)propyl)-2-propyl-
CID 200810
Valeramide, N-(3-(dimethylamino)propyl)-2-propyl-
CID 201023
Valeramide, N-(3-(dibutylamino)propyl)-2-propyl-
CID 211199
Pentanamide, 2-propyl-N-(2-propylpentyl)-
CID 218532
Valeramide, N-(2-(dipropylamino)propyl)-2-ethyl-
CID 3025375
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide
CID 154734376
N-[6-(3,3-dimethylbutanoylamino)hexyl]-3,3-dimethylbutanamide
CID 4454112
(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
CID 97046606
N-[3-[cyclopentanecarbonyl(methyl)amino]-2,2-dimethylpropyl]cyclopentanecarboxamide
CID 72110112
N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide
CID 99831545

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide (CID 21018113) is 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide is CCN(CC)CCCNC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
The InChIKey is BJGZCSSHMFJCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-9-20(10-2)13-11-12-19-16(21)15(18(6,7)8)14-17(3,4)5/h15H,9-14H2,1-8H3,(H,19,21).
What are the key properties of 2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide?
2-tert-butyl-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide has a molecular weight of 298.51 g/mol, XLogP of 3.93, 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]-4,4-dimethylpentanamide is sourced from PubChem (CID 21018113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).