N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide

C22H22N2O4 — CID 39228978

IUPACN-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15(2)28-19-10-8-17(9-11-19)21(25)23-14-16-5-3-6-18(13-16)24-22(26)20-7-4-12-27-20/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOBBQTIFIPXNCOT-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.25
Rot. Bonds7

About N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide

N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 39228978) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID39228978
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15(2)28-19-10-8-17(9-11-19)21(25)23-14-16-5-3-6-18(13-16)24-22(26)20-7-4-12-27-20/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOBBQTIFIPXNCOT-UHFFFAOYSA-N
XLogP4.25
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1086037
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55588228
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 26169191
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide (CID 39228978) is N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide is CC(C)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is OBBQTIFIPXNCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(2)28-19-10-8-17(9-11-19)21(25)23-14-16-5-3-6-18(13-16)24-22(26)20-7-4-12-27-20/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39228978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).