N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide

C14H22N2O3 — CID 82354195

IUPACN-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC(C)N)cc1
InChIInChI=1S/C14H22N2O3/c1-11(15)10-16-14(17)4-3-9-19-13-7-5-12(18-2)6-8-13/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyNESDMYJHPGRWLL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds8

About N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide

N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 82354195) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
PubChem CID82354195
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC(C)N)cc1
InChIInChI=1S/C14H22N2O3/c1-11(15)10-16-14(17)4-3-9-19-13-7-5-12(18-2)6-8-13/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyNESDMYJHPGRWLL-UHFFFAOYSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-(2-ethylhexyl)-4-(4-methoxyphenoxy)butanamide
CID 2791782
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
CID 103957989
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
methyl 2-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 103957800
4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
CID 55519495
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide (CID 82354195) is N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)NCC(C)N)cc1.
What is the InChIKey of N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is NESDMYJHPGRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(15)10-16-14(17)4-3-9-19-13-7-5-12(18-2)6-8-13/h5-8,11H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide?
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 82354195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).