N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C15H24N2O2 — CID 119385381

IUPACN-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCCN)ccc1C(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)14-6-5-13(9-11(14)3)19-12(4)15(18)17-8-7-16/h5-6,9-10,12H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyBZRRZWTXMUVWES-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds6

About N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 119385381) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID119385381
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCCN)ccc1C(C)C
InChIInChI=1S/C15H24N2O2/c1-10(2)14-6-5-13(9-11(14)3)19-12(4)15(18)17-8-7-16/h5-6,9-10,12H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyBZRRZWTXMUVWES-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 120603874
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 87041727
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 47048125
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide
CID 55824936
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 119385381) is N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(OC(C)C(=O)NCCN)ccc1C(C)C.
What is the InChIKey of N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is BZRRZWTXMUVWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)14-6-5-13(9-11(14)3)19-12(4)15(18)17-8-7-16/h5-6,9-10,12H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 119385381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).