N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide

C16H24N2O2 — CID 119574218

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11-4-8-14(9-5-11)20-12(2)15(19)18-16(3,10-17)13-6-7-13/h4-5,8-9,12-13H,6-7,10,17H2,1-3H3,(H,18,19)
InChIKeyXEXSFVGFGLUHCN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds6

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide (PubChem CID 119574218) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
PubChem CID119574218
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11-4-8-14(9-5-11)20-12(2)15(19)18-16(3,10-17)13-6-7-13/h4-5,8-9,12-13H,6-7,10,17H2,1-3H3,(H,18,19)
InChIKeyXEXSFVGFGLUHCN-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
CID 119575701
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119598988
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide
CID 119575434
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid
CID 61261172
N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119615423
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 119573037
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43618755
2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 43360421

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide (CID 119574218) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NC(C)(CN)C2CC2)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide?
The InChIKey is XEXSFVGFGLUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-4-8-14(9-5-11)20-12(2)15(19)18-16(3,10-17)13-6-7-13/h4-5,8-9,12-13H,6-7,10,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 119574218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).