N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C26H29N3O4 — CID 55801175

IUPACN-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN2CC(C)OC(C)C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C26H29N3O4/c1-17-10-11-20(13-23(17)28-26(31)24-9-6-12-32-24)25(30)27-22-8-5-4-7-21(22)16-29-14-18(2)33-19(3)15-29/h4-13,18-19H,14-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyXPEXPCIZXNYSFP-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.70
Rot. Bonds6

About N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 55801175) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID55801175
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN2CC(C)OC(C)C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C26H29N3O4/c1-17-10-11-20(13-23(17)28-26(31)24-9-6-12-32-24)25(30)27-22-8-5-4-7-21(22)16-29-14-18(2)33-19(3)15-29/h4-13,18-19H,14-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyXPEXPCIZXNYSFP-UHFFFAOYSA-N
XLogP4.70
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120568831
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(3-fluorophenyl)acetamide
CID 55801360
3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 94147785
N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55801201
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 55801175) is N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccccc2CN2CC(C)OC(C)C2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is XPEXPCIZXNYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17-10-11-20(13-23(17)28-26(31)24-9-6-12-32-24)25(30)27-22-8-5-4-7-21(22)16-29-14-18(2)33-19(3)15-29/h4-13,18-19H,14-16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 55801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).