2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide

C14H23N3O — CID 63772577

IUPAC2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)CC(N)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-4-17(11-14(18)16(2)3)10-13(15)12-8-6-5-7-9-12/h5-9,13H,4,10-11,15H2,1-3H3
InChIKeyGQQXQUMLZUNQPY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.10
Rot. Bonds6

About 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide

2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 63772577) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide
PubChem CID63772577
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)CC(N)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-4-17(11-14(18)16(2)3)10-13(15)12-8-6-5-7-9-12/h5-9,13H,4,10-11,15H2,1-3H3
InChIKeyGQQXQUMLZUNQPY-UHFFFAOYSA-N
XLogP1.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
CID 43588516
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
2-[acetyl(benzhydryl)amino]-N,N-dimethylacetamide
CID 122392355
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
CID 63324134
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide (CID 63772577) is 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)CC(N)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is GQQXQUMLZUNQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(11-14(18)16(2)3)10-13(15)12-8-6-5-7-9-12/h5-9,13H,4,10-11,15H2,1-3H3.
What are the key properties of 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide?
2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 63772577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).