N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

C27H30N4O5 — CID 24653710

IUPACN-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C27H30N4O5/c1-19-4-5-20(17-23(19)29-27(33)25-3-2-12-36-25)26(32)28-22-7-6-21(30-8-13-34-14-9-30)18-24(22)31-10-15-35-16-11-31/h2-7,12,17-18H,8-11,13-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyONFUAAYPFUSBHP-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.77
Rot. Bonds6

About N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 24653710) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID24653710
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C27H30N4O5/c1-19-4-5-20(17-23(19)29-27(33)25-3-2-12-36-25)26(32)28-22-7-6-21(30-8-13-34-14-9-30)18-24(22)31-10-15-35-16-11-31/h2-7,12,17-18H,8-11,13-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyONFUAAYPFUSBHP-UHFFFAOYSA-N
XLogP3.77
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 126498755
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 24653710) is N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is ONFUAAYPFUSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-19-4-5-20(17-23(19)29-27(33)25-3-2-12-36-25)26(32)28-22-7-6-21(30-8-13-34-14-9-30)18-24(22)31-10-15-35-16-11-31/h2-7,12,17-18H,8-11,13-16H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 24653710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).