2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide

C11H23N3O3 — CID 112701701

IUPAC2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide
SMILESCC(NC(=O)COCCN)C(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-8(10(16)14-11(2,3)4)13-9(15)7-17-6-5-12/h8H,5-7,12H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyCAUXFKHQFORRDO-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.62
Rot. Bonds6

About 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide

2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide (PubChem CID 112701701) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide
PubChem CID112701701
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide
SMILESCC(NC(=O)COCCN)C(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-8(10(16)14-11(2,3)4)13-9(15)7-17-6-5-12/h8H,5-7,12H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyCAUXFKHQFORRDO-UHFFFAOYSA-N
XLogP-0.62
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
CID 79478783
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 175808420
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
2-(2-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740075
2-(2-aminoethoxy)-N-(1-cyanopropan-2-yl)acetamide
CID 79478469
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
CID 82846274
2-(2-aminoethoxy)-N-(1-ethylsulfanylpropan-2-yl)acetamide
CID 115739921
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
CID 118895063

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide (CID 112701701) is 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide is CC(NC(=O)COCCN)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide?
The InChIKey is CAUXFKHQFORRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(10(16)14-11(2,3)4)13-9(15)7-17-6-5-12/h8H,5-7,12H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide?
2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide has a molecular weight of 245.32 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethoxy)acetyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 112701701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).