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

C22H22N2O4 — CID 1086037

IUPACN-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N2O4/c1-14(2)28-18-9-6-16(7-10-18)21(25)23-17-8-11-19(15(3)13-17)24-22(26)20-5-4-12-27-20/h4-14H,1-3H3,(H,23,25)(H,24,26)
InChIKeyAYDAMERZVGNUCC-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.88
Rot. Bonds6

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

N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1086037) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID1086037
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N2O4/c1-14(2)28-18-9-6-16(7-10-18)21(25)23-17-8-11-19(15(3)13-17)24-22(26)20-5-4-12-27-20/h4-14H,1-3H3,(H,23,25)(H,24,26)
InChIKeyAYDAMERZVGNUCC-UHFFFAOYSA-N
XLogP4.88
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
CID 1234570
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-[4-(furan-2-carbonylamino)-3-methylphenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 17274588
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
N-[(4-propan-2-yloxyphenyl)carbamoyl]furan-2-carboxamide
CID 110866473
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 1086037) is N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is AYDAMERZVGNUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(2)28-18-9-6-16(7-10-18)21(25)23-17-8-11-19(15(3)13-17)24-22(26)20-5-4-12-27-20/h4-14H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1086037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).