N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide

C17H26N2O4 — CID 118012728

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
SMILESCOCCOCCOCCNC(=O)c1ccc(N=C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-14(2)19-16-6-4-15(5-7-16)17(20)18-8-9-22-12-13-23-11-10-21-3/h4-7H,8-13H2,1-3H3,(H,18,20)
InChIKeyRVZXIWNZQWVQID-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.21
Rot. Bonds11

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide (PubChem CID 118012728) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
PubChem CID118012728
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
SMILESCOCCOCCOCCNC(=O)c1ccc(N=C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-14(2)19-16-6-4-15(5-7-16)17(20)18-8-9-22-12-13-23-11-10-21-3/h4-7H,8-13H2,1-3H3,(H,18,20)
InChIKeyRVZXIWNZQWVQID-UHFFFAOYSA-N
XLogP2.21
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922
[4-[[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]carbamoyl]phenyl] 4-(diaminomethylideneamino)benzoate
CID 20641918
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 156883008
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-(diaminomethylideneamino)-N-[1-[2-(2-methoxyethoxy)ethylamino]-1-oxopropan-2-yl]-N-methylbenzamide
CID 20641933

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide (CID 118012728) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide is COCCOCCOCCNC(=O)c1ccc(N=C(C)C)cc1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide?
The InChIKey is RVZXIWNZQWVQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-14(2)19-16-6-4-15(5-7-16)17(20)18-8-9-22-12-13-23-11-10-21-3/h4-7H,8-13H2,1-3H3,(H,18,20).
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 118012728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).