3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide

C16H26N2O — CID 106910360

IUPAC3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1ccc(NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-10-17-12-13-6-8-14(9-7-13)18-15(19)11-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyCSBMBLIUTBADQU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.56
Rot. Bonds6

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

3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide (PubChem CID 106910360) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
PubChem CID106910360
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1ccc(NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-10-17-12-13-6-8-14(9-7-13)18-15(19)11-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyCSBMBLIUTBADQU-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106910317
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide
CID 106910339
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide
CID 106910354
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide
CID 106911473

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide (CID 106910360) is 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide is CCCNCc1ccc(NC(=O)CC(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide?
The InChIKey is CSBMBLIUTBADQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-10-17-12-13-6-8-14(9-7-13)18-15(19)11-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19).
What are the key properties of 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide?
3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide is sourced from PubChem (CID 106910360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).