(Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide

C30H50N2O3 — CID 67783345

IUPAC(Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(OC(N)C2CC2)c(OC)c1
InChIInChI=1S/C30H50N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(33)32-24-25-19-22-27(28(23-25)34-2)35-30(31)26-20-21-26/h10-11,19,22-23,26,30H,3-9,12-18,20-21,24,31H2,1-2H3,(H,32,33)/b11-10-
InChIKeyBSXQPRRPOYBLNK-KHPPLWFESA-N
MW486.74 g/mol
LogP7.42
Rot. Bonds21

About (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide

(Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide (PubChem CID 67783345) has the molecular formula C30H50N2O3 and a molecular weight of 486.74 g/mol. Its IUPAC name is (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide
PubChem CID67783345
Molecular FormulaC30H50N2O3
Molecular Weight486.74 g/mol
Exact Mass486.38
IUPAC Name(Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(OC(N)C2CC2)c(OC)c1
InChIInChI=1S/C30H50N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(33)32-24-25-19-22-27(28(23-25)34-2)35-30(31)26-20-21-26/h10-11,19,22-23,26,30H,3-9,12-18,20-21,24,31H2,1-2H3,(H,32,33)/b11-10-
InChIKeyBSXQPRRPOYBLNK-KHPPLWFESA-N
XLogP7.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
CID 67825156
(Z)-N-[[4-(2-aminoethylsulfanyl)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 67825540
N-[[4-(2-azidoethoxy)-3-methoxyphenyl]methyl]octadec-9-enamide
CID 54514212
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
(E)-N-[[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-8-methylnon-6-enamide
CID 121355253
[2-methoxy-4-[[[(Z,12R)-12-(2-phenylacetyl)oxyoctadec-9-enoyl]amino]methyl]phenyl] 2-phenylacetate
CID 135012358
1-[2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenoxy]ethyl dihydrogen phosphate
CID 130380983
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide (CID 67783345) is (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(OC(N)C2CC2)c(OC)c1.
What is the InChIKey of (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide?
The InChIKey is BSXQPRRPOYBLNK-KHPPLWFESA-N. The full InChI is InChI=1S/C30H50N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(33)32-24-25-19-22-27(28(23-25)34-2)35-30(31)26-20-21-26/h10-11,19,22-23,26,30H,3-9,12-18,20-21,24,31H2,1-2H3,(H,32,33)/b11-10-.
What are the key properties of (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide?
(Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide has a molecular weight of 486.74 g/mol, XLogP of 7.42, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[4-[amino(cyclopropyl)methoxy]-3-methoxyphenyl]methyl]octadec-9-enamide is sourced from PubChem (CID 67783345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).