2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide

C14H23N3O — CID 62686641

IUPAC2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(C)CCN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(13-6-4-3-5-7-13)10-16-14(18)11-17(2)9-8-15/h3-7,12H,8-11,15H2,1-2H3,(H,16,18)
InChIKeySGJGILDHZWMCMW-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.80
Rot. Bonds7

About 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide (PubChem CID 62686641) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
PubChem CID62686641
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(C)CCN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(13-6-4-3-5-7-13)10-16-14(18)11-17(2)9-8-15/h3-7,12H,8-11,15H2,1-2H3,(H,16,18)
InChIKeySGJGILDHZWMCMW-UHFFFAOYSA-N
XLogP0.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide
CID 18087937
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide
CID 79479633
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]-prop-2-ynylamino]acetic acid
CID 79272517
2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 60833703
1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
CID 97028200
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide (CID 62686641) is 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CN(C)CCN)c1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide?
The InChIKey is SGJGILDHZWMCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(13-6-4-3-5-7-13)10-16-14(18)11-17(2)9-8-15/h3-7,12H,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 62686641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).