N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C21H27N3O6 — CID 9160701

IUPACN-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)ccc1OC(C)C
InChIInChI=1S/C21H27N3O6/c1-12(2)18(22-20(26)16-7-6-10-29-16)21(27)24-23-19(25)14-8-9-15(30-13(3)4)17(11-14)28-5/h6-13,18H,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1
InChIKeyOZXRWFFEIIRHRR-SFHVURJKSA-N
MW417.46 g/mol
LogP2.29
Rot. Bonds8

About N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 9160701) has the molecular formula C21H27N3O6 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID9160701
Molecular FormulaC21H27N3O6
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC NameN-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCOc1cc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)ccc1OC(C)C
InChIInChI=1S/C21H27N3O6/c1-12(2)18(22-20(26)16-7-6-10-29-16)21(27)24-23-19(25)14-8-9-15(30-13(3)4)17(11-14)28-5/h6-13,18H,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1
InChIKeyOZXRWFFEIIRHRR-SFHVURJKSA-N
XLogP2.29
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.29
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'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
N-[(2S)-1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9278474
N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24553444
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
N-[(2S)-1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 35933812
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78771444
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-[2-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24537804

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 9160701) is N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is COc1cc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)ccc1OC(C)C.
What is the InChIKey of N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is OZXRWFFEIIRHRR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O6/c1-12(2)18(22-20(26)16-7-6-10-29-16)21(27)24-23-19(25)14-8-9-15(30-13(3)4)17(11-14)28-5/h6-13,18H,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 9160701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).