2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide

C30H25N3O5 — CID 28824211

IUPAC2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C30H25N3O5/c1-19(21-7-10-24(11-8-21)31-29(34)27-15-16-36-20(27)2)32-33-30(35)28-14-13-26(38-28)18-37-25-12-9-22-5-3-4-6-23(22)17-25/h3-17H,18H2,1-2H3,(H,31,34)(H,33,35)/b32-19-
InChIKeyAURAJACRULWBTO-MZFJOGFUSA-N
MW507.55 g/mol
LogP6.32
Rot. Bonds8

About 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide

2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide (PubChem CID 28824211) has the molecular formula C30H25N3O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide
PubChem CID28824211
Molecular FormulaC30H25N3O5
Molecular Weight507.55 g/mol
Exact Mass507.18
IUPAC Name2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C30H25N3O5/c1-19(21-7-10-24(11-8-21)31-29(34)27-15-16-36-20(27)2)32-33-30(35)28-14-13-26(38-28)18-37-25-12-9-22-5-3-4-6-23(22)17-25/h3-17H,18H2,1-2H3,(H,31,34)(H,33,35)/b32-19-
InChIKeyAURAJACRULWBTO-MZFJOGFUSA-N
XLogP6.32
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
N-[4-[N-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylfuran-3-carboxamide
CID 3532118
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[4-(difluoromethylsulfonyl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31523225
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
CID 135725831
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
CID 5454909
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide (CID 28824211) is 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide is C/C(=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(NC(=O)c2ccoc2C)cc1.
What is the InChIKey of 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide?
The InChIKey is AURAJACRULWBTO-MZFJOGFUSA-N. The full InChI is InChI=1S/C30H25N3O5/c1-19(21-7-10-24(11-8-21)31-29(34)27-15-16-36-20(27)2)32-33-30(35)28-14-13-26(38-28)18-37-25-12-9-22-5-3-4-6-23(22)17-25/h3-17H,18H2,1-2H3,(H,31,34)(H,33,35)/b32-19-.
What are the key properties of 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide?
2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 6.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 28824211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).