N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

C20H24N2O3 — CID 2275370

IUPACN-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCCc1cc(C)cc(OCCOc2ccccc2C=NNC(C)=O)c1
InChIInChI=1S/C20H24N2O3/c1-4-17-11-15(2)12-19(13-17)24-9-10-25-20-8-6-5-7-18(20)14-21-22-16(3)23/h5-8,11-14H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyKDZDAHZNDROAFF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.49
Rot. Bonds8

About N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (PubChem CID 2275370) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
PubChem CID2275370
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCCc1cc(C)cc(OCCOc2ccccc2C=NNC(C)=O)c1
InChIInChI=1S/C20H24N2O3/c1-4-17-11-15(2)12-19(13-17)24-9-10-25-20-8-6-5-7-18(20)14-21-22-16(3)23/h5-8,11-14H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyKDZDAHZNDROAFF-UHFFFAOYSA-N
XLogP3.49
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
CID 4669468
N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 3928031
N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]-4-nitroaniline
CID 3656315
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
N-[(Z)-[5-bromo-2-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 6262095
[(Z)-[3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
CID 6144098
4-[[2-[(E)-[[2-(3-ethyl-5-methylphenoxy)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126192884
N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 9073708

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (CID 2275370) is N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is CCc1cc(C)cc(OCCOc2ccccc2C=NNC(C)=O)c1.
What is the InChIKey of N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The InChIKey is KDZDAHZNDROAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-17-11-15(2)12-19(13-17)24-9-10-25-20-8-6-5-7-18(20)14-21-22-16(3)23/h5-8,11-14H,4,9-10H2,1-3H3,(H,22,23).
What are the key properties of N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 2275370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).