N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide

C19H23N3O4 — CID 46229039

IUPACN-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
SMILESCCC(C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccco1
InChIInChI=1S/C19H23N3O4/c1-4-13(2)17(19(24)22-20-12-16-6-5-11-26-16)21-18(23)14-7-9-15(25-3)10-8-14/h5-13,17H,4H2,1-3H3,(H,21,23)(H,22,24)/b20-12+/t13?,17-/m0/s1
InChIKeyMOZZECUZFGFCHZ-UXLUINOCSA-N
MW357.41 g/mol
LogP2.58
Rot. Bonds8

About N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide

N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide (PubChem CID 46229039) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
PubChem CID46229039
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
SMILESCCC(C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccco1
InChIInChI=1S/C19H23N3O4/c1-4-13(2)17(19(24)22-20-12-16-6-5-11-26-16)21-18(23)14-7-9-15(25-3)10-8-14/h5-13,17H,4H2,1-3H3,(H,21,23)(H,22,24)/b20-12+/t13?,17-/m0/s1
InChIKeyMOZZECUZFGFCHZ-UXLUINOCSA-N
XLogP2.58
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
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

N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464
N-[(E)-furan-2-ylmethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6896656
N-[1-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3926301
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[1-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3990603
N-[1-[2-[(5-bromo-2-butoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3360795
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
methyl 2-[4-[[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4015620
N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 129439276

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide (CID 46229039) is N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide is CCC(C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccco1.
What is the InChIKey of N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
The InChIKey is MOZZECUZFGFCHZ-UXLUINOCSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-13(2)17(19(24)22-20-12-16-6-5-11-26-16)21-18(23)14-7-9-15(25-3)10-8-14/h5-13,17H,4H2,1-3H3,(H,21,23)(H,22,24)/b20-12+/t13?,17-/m0/s1.
What are the key properties of N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide?
N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-3-methyl-1-oxopentan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 46229039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).