N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

C14H30N2O — CID 54949020

IUPACN,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCCN(CC)C(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-8-16(9-2)12(17)10-15-14(6,7)11-13(3,4)5/h15H,8-11H2,1-7H3
InChIKeyKTZSQXXQRADDBK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.66
Rot. Bonds6

About N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide

N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (PubChem CID 54949020) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
PubChem CID54949020
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
SMILESCCN(CC)C(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-8-16(9-2)12(17)10-15-14(6,7)11-13(3,4)5/h15H,8-11H2,1-7H3
InChIKeyKTZSQXXQRADDBK-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
2-(tert-butylamino)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 112727456
N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 60975442
3-[[2-(tert-butylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79257299
N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108525120
N,N-diethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79552369
2-[(2-ethoxy-2-methylpropyl)amino]-N,N-diethylacetamide
CID 114942112
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)propanamide
CID 112687061
N-tert-butyl-N',N'-diethylpropanediamide
CID 108951053

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide (CID 54949020) is N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is CCN(CC)C(=O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
The InChIKey is KTZSQXXQRADDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-8-16(9-2)12(17)10-15-14(6,7)11-13(3,4)5/h15H,8-11H2,1-7H3.
What are the key properties of N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide?
N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide has a molecular weight of 242.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide is sourced from PubChem (CID 54949020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).