2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide

C15H25N3O — CID 43588516

IUPAC2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)CC(CN)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-4-18(12-15(19)17(2)3)11-14(10-16)13-8-6-5-7-9-13/h5-9,14H,4,10-12,16H2,1-3H3
InChIKeyDSNYWTAWDFVIER-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.14
Rot. Bonds7

About 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide

2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 43588516) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
PubChem CID43588516
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)CC(CN)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-4-18(12-15(19)17(2)3)11-14(10-16)13-8-6-5-7-9-13/h5-9,14H,4,10-12,16H2,1-3H3
InChIKeyDSNYWTAWDFVIER-UHFFFAOYSA-N
XLogP1.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide
CID 63772577
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
CID 43532152
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
2-[acetyl(benzhydryl)amino]-N,N-dimethylacetamide
CID 122392355
3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
CID 106914853
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide (CID 43588516) is 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)CC(CN)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is DSNYWTAWDFVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(12-15(19)17(2)3)11-14(10-16)13-8-6-5-7-9-13/h5-9,14H,4,10-12,16H2,1-3H3.
What are the key properties of 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide?
2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43588516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).