N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide

C18H21N3O6 — CID 8901422

IUPACN-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C18H21N3O6/c1-3-26-13-7-6-12(11-15(13)25-2)17(23)21-20-16(22)8-9-19-18(24)14-5-4-10-27-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyCNPHZNQTNHCICJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.27
Rot. Bonds8

About N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 8901422) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
PubChem CID8901422
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC NameN-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C18H21N3O6/c1-3-26-13-7-6-12(11-15(13)25-2)17(23)21-20-16(22)8-9-19-18(24)14-5-4-10-27-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyCNPHZNQTNHCICJ-UHFFFAOYSA-N
XLogP1.27
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4805945
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
CID 9476382
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55317171
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
CID 4788337

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide (CID 8901422) is N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide is CCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is CNPHZNQTNHCICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-3-26-13-7-6-12(11-15(13)25-2)17(23)21-20-16(22)8-9-19-18(24)14-5-4-10-27-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 8901422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).