N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide

C16H26N2O3 — CID 19904835

IUPACN-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(OCCN)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-3-4-5-6-16(19)18-12-13-7-8-14(21-10-9-17)15(11-13)20-2/h7-8,11H,3-6,9-10,12,17H2,1-2H3,(H,18,19)
InChIKeySLBQYMJTDFIZDN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.23
Rot. Bonds10

About N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide

N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide (PubChem CID 19904835) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
PubChem CID19904835
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(OCCN)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-3-4-5-6-16(19)18-12-13-7-8-14(21-10-9-17)15(11-13)20-2/h7-8,11H,3-6,9-10,12,17H2,1-2H3,(H,18,19)
InChIKeySLBQYMJTDFIZDN-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.23
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

(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
CID 67825156
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881
1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(E)-octadec-1-enyl]urea
CID 19904771
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-octadec-9-enylurea
CID 54205535
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]tetradecanamide
CID 54791036
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[[4-(2-azidoethoxy)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 54514212
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide?
The IUPAC name of N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide (CID 19904835) is N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide.
What is the SMILES notation for N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide?
The canonical SMILES for N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide is CCCCCC(=O)NCc1ccc(OCCN)c(OC)c1.
What is the InChIKey of N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide?
The InChIKey is SLBQYMJTDFIZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-4-5-6-16(19)18-12-13-7-8-14(21-10-9-17)15(11-13)20-2/h7-8,11H,3-6,9-10,12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide?
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide has a molecular weight of 294.40 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide is sourced from PubChem (CID 19904835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).