N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide

C16H24N2O2 — CID 119614777

IUPACN-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11-3-4-12(2)15(9-11)20-8-7-16(19)18-14(10-17)13-5-6-13/h3-4,9,13-14H,5-8,10,17H2,1-2H3,(H,18,19)
InChIKeyCIKOMASHTKEUCF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide

N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 119614777) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide
PubChem CID119614777
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11-3-4-12(2)15(9-11)20-8-7-16(19)18-14(10-17)13-5-6-13/h3-4,9,13-14H,5-8,10,17H2,1-2H3,(H,18,19)
InChIKeyCIKOMASHTKEUCF-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119616028
N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616
N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
CID 119617914
N-(2-amino-1-cyclopropylethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119614047
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
N-(2-amino-1-cyclopropylethyl)-3-(2-bromo-4-chlorophenoxy)propanamide;hydrochloride
CID 119613712
(2S,3R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]-3-hydroxybutanoic acid
CID 104964545
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077
N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide (CID 119614777) is N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)NC(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is CIKOMASHTKEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-3-4-12(2)15(9-11)20-8-7-16(19)18-14(10-17)13-5-6-13/h3-4,9,13-14H,5-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide?
N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 119614777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).