(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide

C24H40N2O3 — CID 67825156

IUPAC(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(=O)NCc1ccc(OCCN)c(OC)c1
InChIInChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(27)26-20-21-15-16-22(29-18-17-25)23(19-21)28-2/h6-7,15-16,19H,3-5,8-14,17-18,20,25H2,1-2H3,(H,26,27)/b7-6-
InChIKeyISLQANODKDOPAY-SREVYHEPSA-N
MW404.60 g/mol
LogP5.13
Rot. Bonds17

About (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide

(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide (PubChem CID 67825156) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
PubChem CID67825156
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(=O)NCc1ccc(OCCN)c(OC)c1
InChIInChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(27)26-20-21-15-16-22(29-18-17-25)23(19-21)28-2/h6-7,15-16,19H,3-5,8-14,17-18,20,25H2,1-2H3,(H,26,27)/b7-6-
InChIKeyISLQANODKDOPAY-SREVYHEPSA-N
XLogP5.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-octadec-9-enylurea
CID 54205535
1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(E)-octadec-1-enyl]urea
CID 19904771
N-[[4-(2-azidoethoxy)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 54514212
(Z)-N-[[4-(2-aminoethylsulfanyl)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 67825540
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881
(Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide
CID 67783345
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
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-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide?
The IUPAC name of (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide (CID 67825156) is (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide.
What is the SMILES notation for (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide?
The canonical SMILES for (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide is CCCC/C=C\CCCCCCCC(=O)NCc1ccc(OCCN)c(OC)c1.
What is the InChIKey of (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide?
The InChIKey is ISLQANODKDOPAY-SREVYHEPSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(27)26-20-21-15-16-22(29-18-17-25)23(19-21)28-2/h6-7,15-16,19H,3-5,8-14,17-18,20,25H2,1-2H3,(H,26,27)/b7-6-.
What are the key properties of (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide?
(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide has a molecular weight of 404.60 g/mol, XLogP of 5.13, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide is sourced from PubChem (CID 67825156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).