N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

C23H25N3O3 — CID 41276141

IUPACN-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H25N3O3/c1-16-10-11-17(13-20(16)25-23(28)21-9-6-12-29-21)22(27)24-14-18-7-4-5-8-19(18)15-26(2)3/h4-13H,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyJKJFBLFHTKHALO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.83
Rot. Bonds7

About N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 41276141) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID41276141
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H25N3O3/c1-16-10-11-17(13-20(16)25-23(28)21-9-6-12-29-21)22(27)24-14-18-7-4-5-8-19(18)15-26(2)3/h4-13H,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyJKJFBLFHTKHALO-UHFFFAOYSA-N
XLogP3.83
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[2-methyl-5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17482091
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27843323
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17461631

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 41276141) is N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is JKJFBLFHTKHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-10-11-17(13-20(16)25-23(28)21-9-6-12-29-21)22(27)24-14-18-7-4-5-8-19(18)15-26(2)3/h4-13H,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 41276141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).