[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate

C24H24N4O7 — CID 5482488

IUPAC[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate
SMILESCCOC(=O)O/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC(=O)OCC)cc3)o2)cc1
InChIInChI=1S/C24H24N4O7/c1-3-31-23(29)34-27-21(25)17-9-5-15(6-10-17)19-13-14-20(33-19)16-7-11-18(12-8-16)22(26)28-35-24(30)32-4-2/h5-14H,3-4H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyNGCNSGHAJPIIPO-UHFFFAOYSA-N
MW480.48 g/mol
LogP4.20
Rot. Bonds8

About [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate

[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate (PubChem CID 5482488) has the molecular formula C24H24N4O7 and a molecular weight of 480.48 g/mol. Its IUPAC name is [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate.

Molecular Properties

Compound Name[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate
PubChem CID5482488
Molecular FormulaC24H24N4O7
Molecular Weight480.48 g/mol
Exact Mass480.16
IUPAC Name[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate
SMILESCCOC(=O)O/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC(=O)OCC)cc3)o2)cc1
InChIInChI=1S/C24H24N4O7/c1-3-31-23(29)34-27-21(25)17-9-5-15(6-10-17)19-13-14-20(33-19)16-7-11-18(12-8-16)22(26)28-35-24(30)32-4-2/h5-14H,3-4H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyNGCNSGHAJPIIPO-UHFFFAOYSA-N
XLogP4.20
TPSA160.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate with MolForge

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Related Compounds

[(E)-[[4-[5-[5-[(Z)-N'-acetyloxycarbamimidoyl]furan-2-yl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 87536233
N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
CID 89033049
[(E)-[[4-[5-[6-[(E)-N'-acetyloxycarbamimidoyl]-3-pyridinyl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 11069852
ethyl 4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoate
CID 9058207
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083
ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
(4-methoxyphenyl) (NE)-N-[amino-[4-[5-[4-[(E)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
CID 6476093
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
CID 3131522
ethyl 4-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 57360938
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate?
The IUPAC name of [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate (CID 5482488) is [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate.
What is the SMILES notation for [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate?
The canonical SMILES for [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate is CCOC(=O)O/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC(=O)OCC)cc3)o2)cc1.
What is the InChIKey of [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate?
The InChIKey is NGCNSGHAJPIIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O7/c1-3-31-23(29)34-27-21(25)17-9-5-15(6-10-17)19-13-14-20(33-19)16-7-11-18(12-8-16)22(26)28-35-24(30)32-4-2/h5-14H,3-4H2,1-2H3,(H2,25,27)(H2,26,28).
What are the key properties of [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate?
[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate has a molecular weight of 480.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate is sourced from PubChem (CID 5482488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).