5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide

C20H27N3O4 — CID 47837306

IUPAC5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2ccc(OC)cc2)o1
InChIInChI=1S/C20H27N3O4/c1-4-23(5-2)14-17-11-12-18(27-17)20(25)22-21-19(24)13-8-15-6-9-16(26-3)10-7-15/h6-7,9-12H,4-5,8,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJWUWXYPFVFFRHL-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.52
Rot. Bonds9

About 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide

5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide (PubChem CID 47837306) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide
PubChem CID47837306
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2ccc(OC)cc2)o1
InChIInChI=1S/C20H27N3O4/c1-4-23(5-2)14-17-11-12-18(27-17)20(25)22-21-19(24)13-8-15-6-9-16(26-3)10-7-15/h6-7,9-12H,4-5,8,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJWUWXYPFVFFRHL-UHFFFAOYSA-N
XLogP2.52
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
CID 112550624
N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78815963
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 55523239
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 47798006
2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
CID 112510933
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide?
The IUPAC name of 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide (CID 47837306) is 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide?
The canonical SMILES for 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2ccc(OC)cc2)o1.
What is the InChIKey of 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide?
The InChIKey is JWUWXYPFVFFRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-23(5-2)14-17-11-12-18(27-17)20(25)22-21-19(24)13-8-15-6-9-16(26-3)10-7-15/h6-7,9-12H,4-5,8,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide?
5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide has a molecular weight of 373.45 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide is sourced from PubChem (CID 47837306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).