N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

C19H32N2O2 — CID 3049241

IUPACN-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H32N2O2/c1-18(2,3)14-11-13(7-8-16(22)21-10-9-20)12-15(17(14)23)19(4,5)6/h11-12,23H,7-10,20H2,1-6H3,(H,21,22)
InChIKeyBAPROVDXKNPHAM-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.99
Rot. Bonds5

About N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (PubChem CID 3049241) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
PubChem CID3049241
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H32N2O2/c1-18(2,3)14-11-13(7-8-16(22)21-10-9-20)12-15(17(14)23)19(4,5)6/h11-12,23H,7-10,20H2,1-6H3,(H,21,22)
InChIKeyBAPROVDXKNPHAM-UHFFFAOYSA-N
XLogP2.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (CID 3049241) is N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCCN)cc(C(C)(C)C)c1O.
What is the InChIKey of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The InChIKey is BAPROVDXKNPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2,3)14-11-13(7-8-16(22)21-10-9-20)12-15(17(14)23)19(4,5)6/h11-12,23H,7-10,20H2,1-6H3,(H,21,22).
What are the key properties of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide has a molecular weight of 320.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 3049241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).