2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide

C16H26N2O — CID 106910739

IUPAC2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1cccc(NC(=O)C(C)C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-5-9-17-11-14-7-6-8-15(10-14)18-16(19)13(4)12(2)3/h6-8,10,12-13,17H,5,9,11H2,1-4H3,(H,18,19)
InChIKeySNQSDPUBXWSWHA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds7

About 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide

2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide (PubChem CID 106910739) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
PubChem CID106910739
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
SMILESCCCNCc1cccc(NC(=O)C(C)C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-5-9-17-11-14-7-6-8-15(10-14)18-16(19)13(4)12(2)3/h6-8,10,12-13,17H,5,9,11H2,1-4H3,(H,18,19)
InChIKeySNQSDPUBXWSWHA-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
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

2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
CID 119438218
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910687
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
CID 106910635
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911651
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide?
The IUPAC name of 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide (CID 106910739) is 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide.
What is the SMILES notation for 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide?
The canonical SMILES for 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide is CCCNCc1cccc(NC(=O)C(C)C(C)C)c1.
What is the InChIKey of 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide?
The InChIKey is SNQSDPUBXWSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-9-17-11-14-7-6-8-15(10-14)18-16(19)13(4)12(2)3/h6-8,10,12-13,17H,5,9,11H2,1-4H3,(H,18,19).
What are the key properties of 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide?
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide is sourced from PubChem (CID 106910739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).