N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide

C18H26N2O4 — CID 3635563

IUPACN-(cyclopentylideneamino)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=C2CCCC2)cc(OCC)c1OCC
InChIInChI=1S/C18H26N2O4/c1-4-22-15-11-13(12-16(23-5-2)17(15)24-6-3)18(21)20-19-14-9-7-8-10-14/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKeyFZHIDJZNVURPOW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.54
Rot. Bonds8

About N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide

N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide (PubChem CID 3635563) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-3,4,5-triethoxybenzamide
PubChem CID3635563
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(cyclopentylideneamino)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=C2CCCC2)cc(OCC)c1OCC
InChIInChI=1S/C18H26N2O4/c1-4-22-15-11-13(12-16(23-5-2)17(15)24-6-3)18(21)20-19-14-9-7-8-10-14/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKeyFZHIDJZNVURPOW-UHFFFAOYSA-N
XLogP3.54
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.54
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

3,4,5-Trimethoxybenzamide
CID 18334
Decimemide
CID 26929
3,4,5-Trimethoxybenzohydrazide
CID 76793
N'-[3-(2-furyl)acryloyl]-3,4,5-trimethoxybenzohydrazide
CID 695831
N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide
CID 916392
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N-(cyclopentylideneamino)-3,4-dimethoxybenzamide
CID 4191717
(Z)-N'-((3E,5E)-6-phenylhexa-3,5-dien-2-ylidene)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbohydrazide
CID 5920278
3,4-dimethoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 5979198
N'-[(1E)-1-phenylethylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9616584
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-3,4-dimethoxybenzamide
CID 9667720
N'-(3-cyclohexen-1-ylmethylene)-3,4,5-trimethoxybenzohydrazide
CID 9608488

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide (CID 3635563) is N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NN=C2CCCC2)cc(OCC)c1OCC.
What is the InChIKey of N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide?
The InChIKey is FZHIDJZNVURPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-22-15-11-13(12-16(23-5-2)17(15)24-6-3)18(21)20-19-14-9-7-8-10-14/h11-12H,4-10H2,1-3H3,(H,20,21).
What are the key properties of N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide?
N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 3635563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).