N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide

C17H28N2O — CID 82259967

IUPACN-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)CC(N)Cc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)10-14(18)11-13-6-8-15(9-7-13)19-16(20)17(3,4)5/h6-9,12,14H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyCMJUXYDFMUPBKN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.59
Rot. Bonds5

About N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide

N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 82259967) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
PubChem CID82259967
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)CC(N)Cc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-12(2)10-14(18)11-13-6-8-15(9-7-13)19-16(20)17(3,4)5/h6-9,12,14H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyCMJUXYDFMUPBKN-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
CID 82259470
N-[4-(2-amino-4-methylpentyl)phenyl]-2-methoxyacetamide
CID 82259972
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115174921
4-(2-amino-4-methylpentyl)phenol
CID 62754924

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide (CID 82259967) is N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide is CC(C)CC(N)Cc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is CMJUXYDFMUPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)10-14(18)11-13-6-8-15(9-7-13)19-16(20)17(3,4)5/h6-9,12,14H,10-11,18H2,1-5H3,(H,19,20).
What are the key properties of N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide?
N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82259967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).