N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide

C13H29N3O — CID 28581448

IUPACN-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
SMILESCCN(CC)CCCNCC(=O)NC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-6-16(7-2)10-8-9-14-11-12(17)15-13(3,4)5/h14H,6-11H2,1-5H3,(H,15,17)
InChIKeyVZTDVLCDUYRRCX-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.22
Rot. Bonds8

About N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide

N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide (PubChem CID 28581448) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
PubChem CID28581448
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
SMILESCCN(CC)CCCNCC(=O)NC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-6-16(7-2)10-8-9-14-11-12(17)15-13(3,4)5/h14H,6-11H2,1-5H3,(H,15,17)
InChIKeyVZTDVLCDUYRRCX-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179840
N-tert-butyl-3-(diethylamino)propanamide
CID 109030701
6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
CID 115356547
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
N-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
CID 60872428
N-cyclopropyl-2-[3-(diethylamino)propylamino]-N-ethylacetamide
CID 54957328
N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219120
N-tert-butyl-2-[4-[[3-(diethylamino)propylamino]methyl]-2-ethoxyphenoxy]acetamide;dihydrochloride
CID 17215098
N-tert-butyl-2-[[[4-(diethylamino)butylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385375
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide
CID 139715103

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide (CID 28581448) is N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide is CCN(CC)CCCNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide?
The InChIKey is VZTDVLCDUYRRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-16(7-2)10-8-9-14-11-12(17)15-13(3,4)5/h14H,6-11H2,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide?
N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide has a molecular weight of 243.39 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide is sourced from PubChem (CID 28581448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).