1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one

C25H33NO2 — CID 21425486

IUPAC1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(CC(N)Cc2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H33NO2/c1-24(2,3)22(27)19-11-7-17(8-12-19)15-21(26)16-18-9-13-20(14-10-18)23(28)25(4,5)6/h7-14,21H,15-16,26H2,1-6H3
InChIKeySKRVMOGKVKHIAA-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.26
Rot. Bonds6

About 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one

1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 21425486) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
PubChem CID21425486
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(CC(N)Cc2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H33NO2/c1-24(2,3)22(27)19-11-7-17(8-12-19)15-21(26)16-18-9-13-20(14-10-18)23(28)25(4,5)6/h7-14,21H,15-16,26H2,1-6H3
InChIKeySKRVMOGKVKHIAA-UHFFFAOYSA-N
XLogP5.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
CID 21490372
4-[4-(2-amino-3-hydroxypropyl)phenyl]benzoic acid;hydrochloride
CID 170892858
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
CID 145132515
CID 145132515
[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate
CID 90857236
1-[4-[2,3-bis[[4-(2,2-dimethylpropanoyl)phenyl]methoxy]propoxymethyl]phenyl]-2,2-dimethylpropan-1-one
CID 11801925
N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
CID 58961002
[3-[4-(2,2-dimethylpropanoyl)benzoyl]oxy-2,2-bis[[4-(2,2-dimethylpropanoyl)benzoyl]oxymethyl]propyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10843367
N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
CID 82259967

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one (CID 21425486) is 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(CC(N)Cc2ccc(C(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is SKRVMOGKVKHIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-24(2,3)22(27)19-11-7-17(8-12-19)15-21(26)16-18-9-13-20(14-10-18)23(28)25(4,5)6/h7-14,21H,15-16,26H2,1-6H3.
What are the key properties of 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one?
1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 379.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 21425486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).