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

C21H27N3O4 — CID 46442213

IUPACN-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCC(C)(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O4/c1-3-21(2,24-10-13-27-14-11-24)15-22-19(25)16-6-8-17(9-7-16)23-20(26)18-5-4-12-28-18/h4-9,12H,3,10-11,13-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRYODQAWEMKFXRU-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.76
Rot. Bonds7

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

N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 46442213) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID46442213
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCC(C)(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O4/c1-3-21(2,24-10-13-27-14-11-24)15-22-19(25)16-6-8-17(9-7-16)23-20(26)18-5-4-12-28-18/h4-9,12H,3,10-11,13-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRYODQAWEMKFXRU-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
CID 46450216
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 43038549
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
CID 17476807
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 27760510

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide (CID 46442213) is N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide is CCC(C)(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCOCC1.
What is the InChIKey of N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RYODQAWEMKFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-21(2,24-10-13-27-14-11-24)15-22-19(25)16-6-8-17(9-7-16)23-20(26)18-5-4-12-28-18/h4-9,12H,3,10-11,13-15H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46442213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).