3-[(4-pentoxyphenyl)methylamino]propanamide

C15H24N2O2 — CID 43553209

IUPAC3-[(4-pentoxyphenyl)methylamino]propanamide
SMILESCCCCCOc1ccc(CNCCC(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-11-19-14-7-5-13(6-8-14)12-17-10-9-15(16)18/h5-8,17H,2-4,9-12H2,1H3,(H2,16,18)
InChIKeyVUXKHVKKKJTIMD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds10

About 3-[(4-pentoxyphenyl)methylamino]propanamide

3-[(4-pentoxyphenyl)methylamino]propanamide (PubChem CID 43553209) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(4-pentoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(4-pentoxyphenyl)methylamino]propanamide
PubChem CID43553209
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(4-pentoxyphenyl)methylamino]propanamide
SMILESCCCCCOc1ccc(CNCCC(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-11-19-14-7-5-13(6-8-14)12-17-10-9-15(16)18/h5-8,17H,2-4,9-12H2,1H3,(H2,16,18)
InChIKeyVUXKHVKKKJTIMD-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
CID 106171142
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
2-methyl-4-[(4-nonoxyphenyl)methylamino]butanoic acid
CID 142267694
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
2-ethylsulfinyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 115632357
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pentoxyphenyl)methylamino]propanamide?
The IUPAC name of 3-[(4-pentoxyphenyl)methylamino]propanamide (CID 43553209) is 3-[(4-pentoxyphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(4-pentoxyphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(4-pentoxyphenyl)methylamino]propanamide is CCCCCOc1ccc(CNCCC(N)=O)cc1.
What is the InChIKey of 3-[(4-pentoxyphenyl)methylamino]propanamide?
The InChIKey is VUXKHVKKKJTIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-11-19-14-7-5-13(6-8-14)12-17-10-9-15(16)18/h5-8,17H,2-4,9-12H2,1H3,(H2,16,18).
What are the key properties of 3-[(4-pentoxyphenyl)methylamino]propanamide?
3-[(4-pentoxyphenyl)methylamino]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pentoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43553209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).