2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide

C13H29N3O — CID 78986835

IUPAC2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
SMILESCCN(CC)CC(C)NC(=O)CNC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-7-16(8-2)10-11(3)15-12(17)9-14-13(4,5)6/h11,14H,7-10H2,1-6H3,(H,15,17)
InChIKeyZLMGCZDUBOCGRJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.22
Rot. Bonds7

About 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide

2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide (PubChem CID 78986835) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
PubChem CID78986835
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
SMILESCCN(CC)CC(C)NC(=O)CNC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-7-16(8-2)10-11(3)15-12(17)9-14-13(4,5)6/h11,14H,7-10H2,1-6H3,(H,15,17)
InChIKeyZLMGCZDUBOCGRJ-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
2-(tert-butylamino)-N-pent-4-yn-2-ylacetamide
CID 115662005
2-(tert-butylamino)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115637118
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide
CID 102116556
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491
2-(1-aminocyclobutyl)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 79854389
N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 79202231
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
CID 114991056
2-(tert-butylamino)-N-(2-methylpropoxy)acetamide
CID 115410316

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide (CID 78986835) is 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide is CCN(CC)CC(C)NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide?
The InChIKey is ZLMGCZDUBOCGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-7-16(8-2)10-11(3)15-12(17)9-14-13(4,5)6/h11,14H,7-10H2,1-6H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide?
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide has a molecular weight of 243.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide is sourced from PubChem (CID 78986835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).