2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide

C14H23N3O — CID 55017596

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

About 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide

2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide (PubChem CID 55017596) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
PubChem CID55017596
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(c1ccccc1)C(C)N
InChIInChI=1S/C14H23N3O/c1-4-17(10-13(18)16-3)14(11(2)15)12-8-6-5-7-9-12/h5-9,11,14H,4,10,15H2,1-3H3,(H,16,18)
InChIKeyNCAYUWQKUUIXFO-UHFFFAOYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide
CID 55022365
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
CID 175172899
2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
CID 55016193
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(3-methyl-2-phenylbutyl)amino]acetamide
CID 47030852
2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
CID 103101337
N-methyl-2-[(1-oxo-1-phenylbutan-2-yl)-propylamino]acetamide
CID 62035767
2-[[2-amino-1-(2-bromophenyl)propyl]-ethylamino]acetamide
CID 103101294

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide (CID 55017596) is 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)C(c1ccccc1)C(C)N.
What is the InChIKey of 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide?
The InChIKey is NCAYUWQKUUIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(10-13(18)16-3)14(11(2)15)12-8-6-5-7-9-12/h5-9,11,14H,4,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide?
2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 55017596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).