2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide

C16H26N2O3 — CID 120989442

IUPAC2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)12-7-5-6-8-14(12)21-10-9-18-15(19)13(17)11-20-4/h5-8,13H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyRELZCOUEOPEAPX-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.45
Rot. Bonds7

About 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide

2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide (PubChem CID 120989442) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide
PubChem CID120989442
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)12-7-5-6-8-14(12)21-10-9-18-15(19)13(17)11-20-4/h5-8,13H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyRELZCOUEOPEAPX-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 119321803
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
N-[2-(2-tert-butylphenoxy)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119780509
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride
CID 119780497
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 133252205

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide (CID 120989442) is 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide is COCC(N)C(=O)NCCOc1ccccc1C(C)(C)C.
What is the InChIKey of 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide?
The InChIKey is RELZCOUEOPEAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)12-7-5-6-8-14(12)21-10-9-18-15(19)13(17)11-20-4/h5-8,13H,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide?
2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 120989442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).