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

C20H34N2O2 — CID 22104700

IUPACN-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
SMILESCOc1c(C(C)(C)C)cc(CCC(=O)NCCN)cc1C(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-19(2,3)15-12-14(8-9-17(23)22-11-10-21)13-16(18(15)24-7)20(4,5)6/h12-13H,8-11,21H2,1-7H3,(H,22,23)
InChIKeyYOHRHJDWXUJOSC-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.30
Rot. Bonds6

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

N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide (PubChem CID 22104700) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
PubChem CID22104700
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
SMILESCOc1c(C(C)(C)C)cc(CCC(=O)NCCN)cc1C(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-19(2,3)15-12-14(8-9-17(23)22-11-10-21)13-16(18(15)24-7)20(4,5)6/h12-13H,8-11,21H2,1-7H3,(H,22,23)
InChIKeyYOHRHJDWXUJOSC-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 172793531
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(3-trimethoxysilylpropyl)propanamide;methane;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 161068095
3-(3,5-ditert-butyl-4-methoxyphenyl)propanethioamide
CID 83938576
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
tert-butyl [2,6-ditert-butyl-4-[3-[[10-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-8-oxodecyl]amino]-3-oxopropyl]phenyl] carbonate
CID 158061096
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-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
CID 57308752
1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
CID 83938613
1-(3,5-ditert-butyl-4-methoxyphenyl)-4-dimethoxyphosphoryl-4-ethylhexan-3-one
CID 10253453
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide (CID 22104700) is N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide is COc1c(C(C)(C)C)cc(CCC(=O)NCCN)cc1C(C)(C)C.
What is the InChIKey of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide?
The InChIKey is YOHRHJDWXUJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-19(2,3)15-12-14(8-9-17(23)22-11-10-21)13-16(18(15)24-7)20(4,5)6/h12-13H,8-11,21H2,1-7H3,(H,22,23).
What are the key properties of N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide?
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide has a molecular weight of 334.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 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-methoxyphenyl)propanamide is sourced from PubChem (CID 22104700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).