N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide

C22H20N2O5 — CID 42014838

IUPACN-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H20N2O5/c1-3-12-28-18-11-6-15(14-20(18)27-2)21(25)23-16-7-9-17(10-8-16)24-22(26)19-5-4-13-29-19/h3-11,13-14H,1,12H2,2H3,(H,23,25)(H,24,26)
InChIKeyILFQGVYDTLHULY-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.36
Rot. Bonds8

About N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide

N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 42014838) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID42014838
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC
InChIInChI=1S/C22H20N2O5/c1-3-12-28-18-11-6-15(14-20(18)27-2)21(25)23-16-7-9-17(10-8-16)24-22(26)19-5-4-13-29-19/h3-11,13-14H,1,12H2,2H3,(H,23,25)(H,24,26)
InChIKeyILFQGVYDTLHULY-UHFFFAOYSA-N
XLogP4.36
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 42315476
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 42014838) is N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide is C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC.
What is the InChIKey of N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is ILFQGVYDTLHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-3-12-28-18-11-6-15(14-20(18)27-2)21(25)23-16-7-9-17(10-8-16)24-22(26)19-5-4-13-29-19/h3-11,13-14H,1,12H2,2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42014838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).