4-[(4-ethoxyphenyl)methylamino]butanamide

C13H20N2O2 — CID 60863018

IUPAC4-[(4-ethoxyphenyl)methylamino]butanamide
SMILESCCOc1ccc(CNCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-17-12-7-5-11(6-8-12)10-15-9-3-4-13(14)16/h5-8,15H,2-4,9-10H2,1H3,(H2,14,16)
InChIKeyJIJLZZIIKILPNK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds8

About 4-[(4-ethoxyphenyl)methylamino]butanamide

4-[(4-ethoxyphenyl)methylamino]butanamide (PubChem CID 60863018) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methylamino]butanamide
PubChem CID60863018
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[(4-ethoxyphenyl)methylamino]butanamide
SMILESCCOc1ccc(CNCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-17-12-7-5-11(6-8-12)10-15-9-3-4-13(14)16/h5-8,15H,2-4,9-10H2,1H3,(H2,14,16)
InChIKeyJIJLZZIIKILPNK-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
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-pentoxyphenyl)methylamino]propanamide
CID 43553209
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
2-amino-4-[(4-ethoxyphenyl)methylamino]butanoic acid
CID 115241193
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methylamino]butanamide?
The IUPAC name of 4-[(4-ethoxyphenyl)methylamino]butanamide (CID 60863018) is 4-[(4-ethoxyphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)methylamino]butanamide is CCOc1ccc(CNCCCC(N)=O)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methylamino]butanamide?
The InChIKey is JIJLZZIIKILPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-12-7-5-11(6-8-12)10-15-9-3-4-13(14)16/h5-8,15H,2-4,9-10H2,1H3,(H2,14,16).
What are the key properties of 4-[(4-ethoxyphenyl)methylamino]butanamide?
4-[(4-ethoxyphenyl)methylamino]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methylamino]butanamide is sourced from PubChem (CID 60863018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).