2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide

C16H27N3O — CID 120872102

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(CCN)CCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-15(20)13-19(12-10-17)11-9-14-7-5-4-6-8-14/h4-8H,9-13,17H2,1-3H3,(H,18,20)
InChIKeyLZNKVLUOBFKVIN-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.40
Rot. Bonds7

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide (PubChem CID 120872102) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
PubChem CID120872102
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN(CCN)CCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-16(2,3)18-15(20)13-19(12-10-17)11-9-14-7-5-4-6-8-14/h4-8H,9-13,17H2,1-3H3,(H,18,20)
InChIKeyLZNKVLUOBFKVIN-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
CID 120872242
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 120872604
2-[2-aminoethyl(2-phenylethyl)amino]-N-(dicyclopropylmethyl)acetamide;hydrochloride
CID 120871709
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120872237
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 120872602

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide (CID 120872102) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN(CCN)CCc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide?
The InChIKey is LZNKVLUOBFKVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)18-15(20)13-19(12-10-17)11-9-14-7-5-4-6-8-14/h4-8H,9-13,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide has a molecular weight of 277.41 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 120872102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).