3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide

C15H24N2O3 — CID 115581391

IUPAC3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCCOc1cc(CNCCC(=O)NC(C)C)ccc1O
InChIInChI=1S/C15H24N2O3/c1-4-20-14-9-12(5-6-13(14)18)10-16-8-7-15(19)17-11(2)3/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyIZSGDQZGDXMWCJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.80
Rot. Bonds8

About 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide

3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 115581391) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID115581391
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCCOc1cc(CNCCC(=O)NC(C)C)ccc1O
InChIInChI=1S/C15H24N2O3/c1-4-20-14-9-12(5-6-13(14)18)10-16-8-7-15(19)17-11(2)3/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyIZSGDQZGDXMWCJ-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
6-[(3-ethoxy-4-hydroxyphenyl)methylamino]hexanoic acid
CID 82364313
3-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581412
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83110402
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684722
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide
CID 115676860
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 60956837
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide (CID 115581391) is 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide is CCOc1cc(CNCCC(=O)NC(C)C)ccc1O.
What is the InChIKey of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is IZSGDQZGDXMWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-20-14-9-12(5-6-13(14)18)10-16-8-7-15(19)17-11(2)3/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide?
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115581391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).