2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide

C15H32N2O — CID 3031109

IUPAC2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCCN(CC)C(C)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-9-17(10-2)12(3)13(18)16-15(7,8)11-14(4,5)6/h12H,9-11H2,1-8H3,(H,16,18)
InChIKeyKJLYRCWOVJIAAM-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.05
Rot. Bonds6

About 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide

2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 3031109) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID3031109
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCCN(CC)C(C)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-9-17(10-2)12(3)13(18)16-15(7,8)11-14(4,5)6/h12H,9-11H2,1-8H3,(H,16,18)
InChIKeyKJLYRCWOVJIAAM-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350485
3-[ethyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62851344
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 113342816
N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79389363
2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 76887560
ethyl 3,3-dimethyl-2-(2,4,4-trimethylpentan-2-ylcarbamoyl)butanoate
CID 116537949
1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 125058029
3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-tert-butylpropanamide
CID 54987970
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 3031109) is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide is CCN(CC)C(C)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is KJLYRCWOVJIAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-9-17(10-2)12(3)13(18)16-15(7,8)11-14(4,5)6/h12H,9-11H2,1-8H3,(H,16,18).
What are the key properties of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 256.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 3031109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).