N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide

C21H28N2O — CID 119523708

IUPACN-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide
SMILESCC(C)(CN)NC(=O)CC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-21(2,16-22)23-20(24)15-19(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,19H,13-16,22H2,1-2H3,(H,23,24)
InChIKeyBEUZSUNSKCTPKR-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.33
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide

N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide (PubChem CID 119523708) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide
PubChem CID119523708
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide
SMILESCC(C)(CN)NC(=O)CC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-21(2,16-22)23-20(24)15-19(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,19H,13-16,22H2,1-2H3,(H,23,24)
InChIKeyBEUZSUNSKCTPKR-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
CID 119497857
3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride
CID 119502706
3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride
CID 119521673
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
N-(1-amino-2-methylpropan-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119523805
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide (CID 119523708) is N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide is CC(C)(CN)NC(=O)CC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide?
The InChIKey is BEUZSUNSKCTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-21(2,16-22)23-20(24)15-19(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,19H,13-16,22H2,1-2H3,(H,23,24).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide?
N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide has a molecular weight of 324.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide is sourced from PubChem (CID 119523708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).