3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide

C16H26N2O2 — CID 106910632

IUPAC3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1cccc(NC(=O)CC(C)(C)OC)c1
InChIInChI=1S/C16H26N2O2/c1-5-9-17-12-13-7-6-8-14(10-13)18-15(19)11-16(2,3)20-4/h6-8,10,17H,5,9,11-12H2,1-4H3,(H,18,19)
InChIKeyDFEYOCQJEFQUNJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.94
Rot. Bonds8

About 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide

3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide (PubChem CID 106910632) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
PubChem CID106910632
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1cccc(NC(=O)CC(C)(C)OC)c1
InChIInChI=1S/C16H26N2O2/c1-5-9-17-12-13-7-6-8-14(10-13)18-15(19)11-16(2,3)20-4/h6-8,10,17H,5,9,11-12H2,1-4H3,(H,18,19)
InChIKeyDFEYOCQJEFQUNJ-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910687
N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
CID 103017298
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
CID 106910635
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide (CID 106910632) is 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide is CCCNCc1cccc(NC(=O)CC(C)(C)OC)c1.
What is the InChIKey of 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide?
The InChIKey is DFEYOCQJEFQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-9-17-12-13-7-6-8-14(10-13)18-15(19)11-16(2,3)20-4/h6-8,10,17H,5,9,11-12H2,1-4H3,(H,18,19).
What are the key properties of 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide?
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide is sourced from PubChem (CID 106910632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).