N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide

C12H16IN3O3 — CID 5439570

IUPACN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)N/N=C\c1ccc(I)o1
InChIInChI=1S/C12H16IN3O3/c13-11-2-1-10(19-11)9-14-15-12(17)3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,15,17)/b14-9-
InChIKeyMDLADGHEYWDLGZ-ZROIWOOFSA-N
MW377.18 g/mol
LogP1.06
Rot. Bonds5

About N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide

N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide (PubChem CID 5439570) has the molecular formula C12H16IN3O3 and a molecular weight of 377.18 g/mol. Its IUPAC name is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide
PubChem CID5439570
Molecular FormulaC12H16IN3O3
Molecular Weight377.18 g/mol
Exact Mass377.02
IUPAC NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)N/N=C\c1ccc(I)o1
InChIInChI=1S/C12H16IN3O3/c13-11-2-1-10(19-11)9-14-15-12(17)3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,15,17)/b14-9-
InChIKeyMDLADGHEYWDLGZ-ZROIWOOFSA-N
XLogP1.06
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
CID 3096595
3-(4-benzhydrylpiperazin-1-yl)-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propanamide
CID 146025204
N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 94833727
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 6152553
N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692809
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221
3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide
CID 1278423
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 51394008
N,N'-bis[(5-bromofuran-2-yl)methylideneamino]octanediamide
CID 3286052
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide (CID 5439570) is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)N/N=C\c1ccc(I)o1.
What is the InChIKey of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide?
The InChIKey is MDLADGHEYWDLGZ-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H16IN3O3/c13-11-2-1-10(19-11)9-14-15-12(17)3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,15,17)/b14-9-.
What are the key properties of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide?
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide has a molecular weight of 377.18 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 5439570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).