3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide

C16H27N3O — CID 103814209

IUPAC3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
SMILESCCC(C)N(C)CCNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-4-13(2)19(3)11-10-18-16(20)15(12-17)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3,(H,18,20)
InChIKeySSBZODVEWSORST-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.58
Rot. Bonds8

About 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide

3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide (PubChem CID 103814209) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
PubChem CID103814209
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
SMILESCCC(C)N(C)CCNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-4-13(2)19(3)11-10-18-16(20)15(12-17)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3,(H,18,20)
InChIKeySSBZODVEWSORST-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
CID 62878003
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
CID 107269526
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
CID 113492233
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 119689808
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2-phenylpropanamide
CID 62878348
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide (CID 103814209) is 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide is CCC(C)N(C)CCNC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide?
The InChIKey is SSBZODVEWSORST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13(2)19(3)11-10-18-16(20)15(12-17)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide?
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 103814209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).