2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide

C18H38N2O — CID 20759426

IUPAC2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide
SMILESCCN(C)CCCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O/c1-10-20(9)13-11-12-19-15(21)18(8,17(5,6)7)14-16(2,3)4/h10-14H2,1-9H3,(H,19,21)
InChIKeyZUPBEYDGDAKMLE-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.93
Rot. Bonds7

About 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide

2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide (PubChem CID 20759426) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide
PubChem CID20759426
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide
SMILESCCN(C)CCCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O/c1-10-20(9)13-11-12-19-15(21)18(8,17(5,6)7)14-16(2,3)4/h10-14H2,1-9H3,(H,19,21)
InChIKeyZUPBEYDGDAKMLE-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(2-ethylhexyl)-3,5,5-trimethylhexanamide
CID 154734376
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-[6-(3,3-dimethylbutanoylamino)hexyl]-3,3-dimethylbutanamide
CID 4454112
N-[3-[cyclopentanecarbonyl(methyl)amino]-2,2-dimethylpropyl]cyclopentanecarboxamide
CID 72110112
1-ethyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 80262233
2,2,4-trimethyl-1-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]pentan-1-one
CID 164630477
N-Ethyl-2-isopropyl-2,4-dimethylvaleramide
CID 101044
2-sec-Butyl-N-ethyl-2,3-dimethylvaleramide
CID 101045

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide (CID 20759426) is 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide is CCN(C)CCCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide?
The InChIKey is ZUPBEYDGDAKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-10-20(9)13-11-12-19-15(21)18(8,17(5,6)7)14-16(2,3)4/h10-14H2,1-9H3,(H,19,21).
What are the key properties of 2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide?
2-tert-butyl-N-[3-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide has a molecular weight of 298.51 g/mol, XLogP of 3.93, 7 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-[ethyl(methyl)amino]propyl]-2,4,4-trimethylpentanamide is sourced from PubChem (CID 20759426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).