2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide

C11H17N3O — CID 106151018

IUPAC2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCN)cc1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)10(13)11(15)14-7-6-12/h2-5,10H,6-7,12-13H2,1H3,(H,14,15)
InChIKeyOMDPTVCSFQOUNZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.07
Rot. Bonds4

About 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide

2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide (PubChem CID 106151018) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
PubChem CID106151018
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCN)cc1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)10(13)11(15)14-7-6-12/h2-5,10H,6-7,12-13H2,1H3,(H,14,15)
InChIKeyOMDPTVCSFQOUNZ-UHFFFAOYSA-N
XLogP0.07
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 106312753
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 120666753
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide (CID 106151018) is 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCCN)cc1.
What is the InChIKey of 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide?
The InChIKey is OMDPTVCSFQOUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)10(13)11(15)14-7-6-12/h2-5,10H,6-7,12-13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).