N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide

C23H29N3O3 — CID 7965570

IUPACN-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C(/C)c2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-18(19-7-9-20(10-8-19)26-15-5-3-4-6-16-26)24-25-23(27)17-29-22-13-11-21(28-2)12-14-22/h7-14H,3-6,15-17H2,1-2H3,(H,25,27)/b24-18-
InChIKeyKHXSWNXOOWWOGC-MOHJPFBDSA-N
MW395.50 g/mol
LogP3.99
Rot. Bonds7

About N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 7965570) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID7965570
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C(/C)c2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-18(19-7-9-20(10-8-19)26-15-5-3-4-6-16-26)24-25-23(27)17-29-22-13-11-21(28-2)12-14-22/h7-14H,3-6,15-17H2,1-2H3,(H,25,27)/b24-18-
InChIKeyKHXSWNXOOWWOGC-MOHJPFBDSA-N
XLogP3.99
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide
CID 7966124
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 43075100
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315862
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
CID 9232157
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9255870
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 921075
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
CID 7378841

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 7965570) is N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C(/C)c2ccc(N3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is KHXSWNXOOWWOGC-MOHJPFBDSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18(19-7-9-20(10-8-19)26-15-5-3-4-6-16-26)24-25-23(27)17-29-22-13-11-21(28-2)12-14-22/h7-14H,3-6,15-17H2,1-2H3,(H,25,27)/b24-18-.
What are the key properties of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 7965570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).