4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide

C15H24N2O2 — CID 115156704

IUPAC4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
SMILESCCOc1ccc(CNC(=O)CCC(C)N)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-6-13(9-11(14)2)10-17-15(18)8-5-12(3)16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18)
InChIKeyIZBXZMMSRCMCON-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds7

About 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide

4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide (PubChem CID 115156704) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
PubChem CID115156704
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
SMILESCCOc1ccc(CNC(=O)CCC(C)N)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-6-13(9-11(14)2)10-17-15(18)8-5-12(3)16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18)
InChIKeyIZBXZMMSRCMCON-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

3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
CID 115154979
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506228
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
ethyl 4-[(4-aminopentanoylamino)methyl]benzoate
CID 120561148
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186556
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338556
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide (CID 115156704) is 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide is CCOc1ccc(CNC(=O)CCC(C)N)cc1C.
What is the InChIKey of 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide?
The InChIKey is IZBXZMMSRCMCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-7-6-13(9-11(14)2)10-17-15(18)8-5-12(3)16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide?
4-amino-N-[(4-ethoxy-3-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-[(4-ethoxy-3-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 115156704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).