N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

C23H28IN3O5 — CID 4555556

IUPACN-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCCOc1cc(C=NNC(=O)C(C)NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCC
InChIInChI=1S/C23H28IN3O5/c1-5-31-20-12-17(11-19(24)22(20)32-6-2)14-25-27-23(29)15(3)26-21(28)13-16-7-9-18(30-4)10-8-16/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQPGQKHDWICTPOK-UHFFFAOYSA-N
MW553.40 g/mol
LogP3.29
Rot. Bonds11

About N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (PubChem CID 4555556) has the molecular formula C23H28IN3O5 and a molecular weight of 553.40 g/mol. Its IUPAC name is N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
PubChem CID4555556
Molecular FormulaC23H28IN3O5
Molecular Weight553.40 g/mol
Exact Mass553.11
IUPAC NameN-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCCOc1cc(C=NNC(=O)C(C)NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCC
InChIInChI=1S/C23H28IN3O5/c1-5-31-20-12-17(11-19(24)22(20)32-6-2)14-25-27-23(29)15(3)26-21(28)13-16-7-9-18(30-4)10-8-16/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQPGQKHDWICTPOK-UHFFFAOYSA-N
XLogP3.29
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4679761
N-[(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5114407
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4575722
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5233220
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126156321
N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3947220
N-[(2-ethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5213834
N-[1-[2-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4994616
N'-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3929019
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
N-[3-[2-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 4546110

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The IUPAC name of N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (CID 4555556) is N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is CCOc1cc(C=NNC(=O)C(C)NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCC.
What is the InChIKey of N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The InChIKey is QPGQKHDWICTPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28IN3O5/c1-5-31-20-12-17(11-19(24)22(20)32-6-2)14-25-27-23(29)15(3)26-21(28)13-16-7-9-18(30-4)10-8-16/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide has a molecular weight of 553.40 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 4555556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).