N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide

C20H25N3O6 — CID 24553444

IUPACN-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C20H25N3O6/c1-4-5-10-28-15-9-8-14(12-17(15)27-3)19(25)23-22-18(24)13(2)21-20(26)16-7-6-11-29-16/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyARWSTJKSDKSIFL-ZDUSSCGKSA-N
MW403.44 g/mol
LogP2.05
Rot. Bonds9

About N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 24553444) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID24553444
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC NameN-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C20H25N3O6/c1-4-5-10-28-15-9-8-14(12-17(15)27-3)19(25)23-22-18(24)13(2)21-20(26)16-7-6-11-29-16/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyARWSTJKSDKSIFL-ZDUSSCGKSA-N
XLogP2.05
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9160701
4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 55561389
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
4-butoxy-N-[furan-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 134029325
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55317171

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 24553444) is N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide is CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is ARWSTJKSDKSIFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-4-5-10-28-15-9-8-14(12-17(15)27-3)19(25)23-22-18(24)13(2)21-20(26)16-7-6-11-29-16/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24553444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).