N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide

C17H28N2O2 — CID 119598988

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)10-17(5,11-18)19-16(20)14(4)21-15-8-6-13(3)7-9-15/h6-9,12,14H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyVGXSZAIIEQVWER-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.64
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide (PubChem CID 119598988) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
PubChem CID119598988
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)10-17(5,11-18)19-16(20)14(4)21-15-8-6-13(3)7-9-15/h6-9,12,14H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyVGXSZAIIEQVWER-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide (CID 119598988) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NC(C)(CN)CC(C)C)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide?
The InChIKey is VGXSZAIIEQVWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)10-17(5,11-18)19-16(20)14(4)21-15-8-6-13(3)7-9-15/h6-9,12,14H,10-11,18H2,1-5H3,(H,19,20).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 119598988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).