4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide

C15H24N2O2 — CID 120563690

IUPAC4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
SMILESCCOc1cc(C)ccc1CNC(=O)CCC(C)N
InChIInChI=1S/C15H24N2O2/c1-4-19-14-9-11(2)5-7-13(14)10-17-15(18)8-6-12(3)16/h5,7,9,12H,4,6,8,10,16H2,1-3H3,(H,17,18)
InChIKeyKJQIHJCKBLNEIB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds7

About 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide

4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide (PubChem CID 120563690) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
PubChem CID120563690
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
SMILESCCOc1cc(C)ccc1CNC(=O)CCC(C)N
InChIInChI=1S/C15H24N2O2/c1-4-19-14-9-11(2)5-7-13(14)10-17-15(18)8-6-12(3)16/h5,7,9,12H,4,6,8,10,16H2,1-3H3,(H,17,18)
InChIKeyKJQIHJCKBLNEIB-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
CID 120563702
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339710
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
1-tert-butyl-3-[(2-ethoxy-4-methylphenyl)methyl]urea
CID 136514356
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
CID 119339581
3-[(2-ethoxy-4-methylphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122006121
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
CID 120562424
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide (CID 120563690) is 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide is CCOc1cc(C)ccc1CNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide?
The InChIKey is KJQIHJCKBLNEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-9-11(2)5-7-13(14)10-17-15(18)8-6-12(3)16/h5,7,9,12H,4,6,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide?
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 120563690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).