3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide

C14H22N2O — CID 62879219

IUPAC3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
SMILESCCC(C)N(C)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-11(2)16(3)14(17)13(10-15)12-8-6-5-7-9-12/h5-9,11,13H,4,10,15H2,1-3H3
InChIKeyXYMKEFZMBNZANH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.99
Rot. Bonds5

About 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide

3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide (PubChem CID 62879219) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
PubChem CID62879219
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
SMILESCCC(C)N(C)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-11(2)16(3)14(17)13(10-15)12-8-6-5-7-9-12/h5-9,11,13H,4,10,15H2,1-3H3
InChIKeyXYMKEFZMBNZANH-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
CID 103814209
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
1-amino-4-ethyl-2-phenylhexan-3-one
CID 116567120
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
CID 62876632

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide (CID 62879219) is 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide is CCC(C)N(C)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide?
The InChIKey is XYMKEFZMBNZANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-11(2)16(3)14(17)13(10-15)12-8-6-5-7-9-12/h5-9,11,13H,4,10,15H2,1-3H3.
What are the key properties of 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide?
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62879219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).