3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide

C25H41N3O4 — CID 143914578

IUPAC3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
SMILESCCN/C=C(\N)c1cccc(CCOCCC(=O)N(CC(OC)OC)C2CCCCC2)c1
InChIInChI=1S/C25H41N3O4/c1-4-27-18-23(26)21-10-8-9-20(17-21)13-15-32-16-14-24(29)28(19-25(30-2)31-3)22-11-6-5-7-12-22/h8-10,17-18,22,25,27H,4-7,11-16,19,26H2,1-3H3/b23-18-
InChIKeyOSXLFQRSXRALBJ-NKFKGCMQSA-N
MW447.62 g/mol
LogP3.28
Rot. Bonds14

About 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide

3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide (PubChem CID 143914578) has the molecular formula C25H41N3O4 and a molecular weight of 447.62 g/mol. Its IUPAC name is 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide.

Molecular Properties

Compound Name3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
PubChem CID143914578
Molecular FormulaC25H41N3O4
Molecular Weight447.62 g/mol
Exact Mass447.31
IUPAC Name3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
SMILESCCN/C=C(\N)c1cccc(CCOCCC(=O)N(CC(OC)OC)C2CCCCC2)c1
InChIInChI=1S/C25H41N3O4/c1-4-27-18-23(26)21-10-8-9-20(17-21)13-15-32-16-14-24(29)28(19-25(30-2)31-3)22-11-6-5-7-12-22/h8-10,17-18,22,25,27H,4-7,11-16,19,26H2,1-3H3/b23-18-
InChIKeyOSXLFQRSXRALBJ-NKFKGCMQSA-N
XLogP3.28
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
The IUPAC name of 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide (CID 143914578) is 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide.
What is the SMILES notation for 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
The canonical SMILES for 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide is CCN/C=C(\N)c1cccc(CCOCCC(=O)N(CC(OC)OC)C2CCCCC2)c1.
What is the InChIKey of 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
The InChIKey is OSXLFQRSXRALBJ-NKFKGCMQSA-N. The full InChI is InChI=1S/C25H41N3O4/c1-4-27-18-23(26)21-10-8-9-20(17-21)13-15-32-16-14-24(29)28(19-25(30-2)31-3)22-11-6-5-7-12-22/h8-10,17-18,22,25,27H,4-7,11-16,19,26H2,1-3H3/b23-18-.
What are the key properties of 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide has a molecular weight of 447.62 g/mol, XLogP of 3.28, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(Z)-1-amino-2-(ethylamino)ethenyl]phenyl]ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide is sourced from PubChem (CID 143914578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).