N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

C21H37N3O2 — CID 172793531

IUPACN-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCNCCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H37N3O2/c1-20(2,3)16-13-15(14-17(19(16)26)21(4,5)6)7-8-18(25)24-12-11-23-10-9-22/h13-14,23,26H,7-12,22H2,1-6H3,(H,24,25)
InChIKeyPWVRGVFMEHYHSD-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.58
Rot. Bonds8

About N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide

N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (PubChem CID 172793531) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
PubChem CID172793531
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCNCCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H37N3O2/c1-20(2,3)16-13-15(14-17(19(16)26)21(4,5)6)7-8-18(25)24-12-11-23-10-9-22/h13-14,23,26H,7-12,22H2,1-6H3,(H,24,25)
InChIKeyPWVRGVFMEHYHSD-UHFFFAOYSA-N
XLogP2.58
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199521
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
CID 22104700
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(3-trimethoxysilylpropyl)propanamide;methane;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 161068095
N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 134444273
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuterio-6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide
CID 169433654
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 20728649

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide (CID 172793531) is N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCCNCCN)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
The InChIKey is PWVRGVFMEHYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-20(2,3)16-13-15(14-17(19(16)26)21(4,5)6)7-8-18(25)24-12-11-23-10-9-22/h13-14,23,26H,7-12,22H2,1-6H3,(H,24,25).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide?
N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide has a molecular weight of 363.55 g/mol, XLogP of 2.58, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 172793531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).