N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide

C21H27N3O4 — CID 18153813

IUPACN-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O4/c1-15(2)18(24-9-12-27-13-10-24)14-22-20(25)16-5-7-17(8-6-16)23-21(26)19-4-3-11-28-19/h3-8,11,15,18H,9-10,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJZWAYJWFJBGZMW-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.62
Rot. Bonds7

About N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 18153813) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID18153813
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O4/c1-15(2)18(24-9-12-27-13-10-24)14-22-20(25)16-5-7-17(8-6-16)23-21(26)19-4-3-11-28-19/h3-8,11,15,18H,9-10,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJZWAYJWFJBGZMW-UHFFFAOYSA-N
XLogP2.62
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
N-(3-methyl-2-piperidin-1-ylbutyl)furan-2-carboxamide
CID 110402831
N-[2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111931402
N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46442213
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 40820384
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide (CID 18153813) is N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide is CC(C)C(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCOCC1.
What is the InChIKey of N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is JZWAYJWFJBGZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15(2)18(24-9-12-27-13-10-24)14-22-20(25)16-5-7-17(8-6-16)23-21(26)19-4-3-11-28-19/h3-8,11,15,18H,9-10,12-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 18153813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).