4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide

C17H28N2O — CID 120563338

IUPAC4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide
SMILESCCc1ccc(C(C)(C)CNC(=O)CCC(C)N)cc1
InChIInChI=1S/C17H28N2O/c1-5-14-7-9-15(10-8-14)17(3,4)12-19-16(20)11-6-13(2)18/h7-10,13H,5-6,11-12,18H2,1-4H3,(H,19,20)
InChIKeyDJKQYBCLBLCFML-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.77
Rot. Bonds7

About 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide

4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide (PubChem CID 120563338) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide
PubChem CID120563338
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide
SMILESCCc1ccc(C(C)(C)CNC(=O)CCC(C)N)cc1
InChIInChI=1S/C17H28N2O/c1-5-14-7-9-15(10-8-14)17(3,4)12-19-16(20)11-6-13(2)18/h7-10,13H,5-6,11-12,18H2,1-4H3,(H,19,20)
InChIKeyDJKQYBCLBLCFML-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
N-[2-(4-ethylphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119802083
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
CID 120562379
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
CID 120563575
3-[[N-[2-(4-ethylphenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 109465150
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
5-amino-1-(4-tert-butylphenyl)hexan-2-one
CID 116571711
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea
CID 111861314
ethyl 4-[(4-aminopentanoylamino)methyl]benzoate
CID 120561148

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide (CID 120563338) is 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide is CCc1ccc(C(C)(C)CNC(=O)CCC(C)N)cc1.
What is the InChIKey of 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide?
The InChIKey is DJKQYBCLBLCFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-14-7-9-15(10-8-14)17(3,4)12-19-16(20)11-6-13(2)18/h7-10,13H,5-6,11-12,18H2,1-4H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide?
4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide is sourced from PubChem (CID 120563338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).