4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide

C16H26N2O2 — CID 106910729

IUPAC4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1cccc(NC(=O)CCCOCC)c1
InChIInChI=1S/C16H26N2O2/c1-3-10-17-13-14-7-5-8-15(12-14)18-16(19)9-6-11-20-4-2/h5,7-8,12,17H,3-4,6,9-11,13H2,1-2H3,(H,18,19)
InChIKeyRACMLEKGWYKLGC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.94
Rot. Bonds10

About 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide

4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide (PubChem CID 106910729) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
PubChem CID106910729
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1cccc(NC(=O)CCCOCC)c1
InChIInChI=1S/C16H26N2O2/c1-3-10-17-13-14-7-5-8-15(12-14)18-16(19)9-6-11-20-4-2/h5,7-8,12,17H,3-4,6,9-11,13H2,1-2H3,(H,18,19)
InChIKeyRACMLEKGWYKLGC-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.94
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

2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
4-ethoxy-N-phenylbutanamide
CID 112728021
4-ethoxy-N-[4-(ethylaminomethyl)phenyl]butanamide
CID 106910220
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide
CID 27654549
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438596
N-[[3-(3-ethoxypropylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347667
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide?
The IUPAC name of 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide (CID 106910729) is 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide is CCCNCc1cccc(NC(=O)CCCOCC)c1.
What is the InChIKey of 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide?
The InChIKey is RACMLEKGWYKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-10-17-13-14-7-5-8-15(12-14)18-16(19)9-6-11-20-4-2/h5,7-8,12,17H,3-4,6,9-11,13H2,1-2H3,(H,18,19).
What are the key properties of 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide?
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide is sourced from PubChem (CID 106910729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).