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

C21H28N2O — CID 119688833

IUPAC3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-16(2)23(15-18-11-7-5-8-12-18)21(24)17(3)20(22)19-13-9-6-10-14-19/h5-14,16-17,20H,4,15,22H2,1-3H3
InChIKeyQHYZMMMLXQDVRQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.15
Rot. Bonds7

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

3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide (PubChem CID 119688833) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
PubChem CID119688833
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-16(2)23(15-18-11-7-5-8-12-18)21(24)17(3)20(22)19-13-9-6-10-14-19/h5-14,16-17,20H,4,15,22H2,1-3H3
InChIKeyQHYZMMMLXQDVRQ-UHFFFAOYSA-N
XLogP4.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl(butan-2-yl)carbamic acid
CID 18954164
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 119747750
(2R)-2-amino-N-benzyl-N-butan-2-yl-4-methylsulfanylbutanamide
CID 104907611
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
CID 79345421
N-benzyl-N-butan-2-ylpentanamide
CID 78842113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide (CID 119688833) is 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide is CCC(C)N(Cc1ccccc1)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide?
The InChIKey is QHYZMMMLXQDVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-16(2)23(15-18-11-7-5-8-12-18)21(24)17(3)20(22)19-13-9-6-10-14-19/h5-14,16-17,20H,4,15,22H2,1-3H3.
What are the key properties of 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide?
3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide has a molecular weight of 324.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119688833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).