N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

C22H27N4O4+ — CID 7335954

IUPACN-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C22H26N4O4/c1-29-20-8-7-17(13-19(20)16-26-9-11-30-12-10-26)14-24-25-21(27)15-23-22(28)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,28)(H,25,27)/p+1/b24-14-
InChIKeyRMURHJZGWZLFGD-OYKKKHCWSA-O
MW411.48 g/mol
LogP-0.01
Rot. Bonds8

About N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 7335954) has the molecular formula C22H27N4O4+ and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID7335954
Molecular FormulaC22H27N4O4+
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C22H26N4O4/c1-29-20-8-7-17(13-19(20)16-26-9-11-30-12-10-26)14-24-25-21(27)15-23-22(28)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,28)(H,25,27)/p+1/b24-14-
InChIKeyRMURHJZGWZLFGD-OYKKKHCWSA-O
XLogP-0.01
TPSA93.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
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'}

Analyze N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide
CID 7741045
2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529614
[4-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 51061224
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
N-[2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6252469
[2-methoxy-4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3710426
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 5207082
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 124632208
4-chloro-N-[2-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3285591
[4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 6073668
[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 6243829
[2-methoxy-4-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 5106661

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 7335954) is N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2)cc1C[NH+]1CCOCC1.
What is the InChIKey of N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is RMURHJZGWZLFGD-OYKKKHCWSA-O. The full InChI is InChI=1S/C22H26N4O4/c1-29-20-8-7-17(13-19(20)16-26-9-11-30-12-10-26)14-24-25-21(27)15-23-22(28)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,28)(H,25,27)/p+1/b24-14-.
What are the key properties of N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 411.48 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 7335954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).