N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide

C20H16N2O6 — CID 1090058

IUPACN-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H16N2O6/c1-25-17-10-13(5-6-14(17)22-20(24)16-3-2-8-26-16)21-19(23)12-4-7-15-18(9-12)28-11-27-15/h2-10H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyNSELQGFWTNIMKO-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.52
Rot. Bonds5

About N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 1090058) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID1090058
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC NameN-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H16N2O6/c1-25-17-10-13(5-6-14(17)22-20(24)16-3-2-8-26-16)21-19(23)12-4-7-15-18(9-12)28-11-27-15/h2-10H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyNSELQGFWTNIMKO-UHFFFAOYSA-N
XLogP3.52
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 9273872
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1015959
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 5348268
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
[2-[[[3-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 126231540

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide (CID 1090058) is N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide is COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NSELQGFWTNIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-25-17-10-13(5-6-14(17)22-20(24)16-3-2-8-26-16)21-19(23)12-4-7-15-18(9-12)28-11-27-15/h2-10H,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 1090058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).