N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide

C13H20N2O2 — CID 28755910

IUPACN-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(OCCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-13(16)15(2)11-5-7-12(8-6-11)17-10-4-9-14/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyKMYLVSFNYGZQRA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds6

About N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide

N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide (PubChem CID 28755910) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
PubChem CID28755910
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(OCCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-13(16)15(2)11-5-7-12(8-6-11)17-10-4-9-14/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyKMYLVSFNYGZQRA-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminopropoxy)phenyl]-N-methylcyclopropanecarboxamide
CID 28755916
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
N-methyl-2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 98784031
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
CID 162639938
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate
CID 143419457
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide
CID 70067011

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide (CID 28755910) is N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(OCCCN)cc1.
What is the InChIKey of N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide?
The InChIKey is KMYLVSFNYGZQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-13(16)15(2)11-5-7-12(8-6-11)17-10-4-9-14/h5-8H,3-4,9-10,14H2,1-2H3.
What are the key properties of N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide?
N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide is sourced from PubChem (CID 28755910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).