N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide

C25H32N2O4 — CID 138505426

IUPACN-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cc(C2CC2)ccc1N1CCC[C@@H](O)CC1)c1ccc(C2CCOCC2)o1
InChIInChI=1S/C25H32N2O4/c28-20-2-1-12-27(13-9-20)22-6-5-19(17-3-4-17)16-21(22)26-25(29)24-8-7-23(31-24)18-10-14-30-15-11-18/h5-8,16-18,20,28H,1-4,9-15H2,(H,26,29)/t20-/m1/s1
InChIKeyCLLKJTNBTLXBDI-HXUWFJFHSA-N
MW424.54 g/mol
LogP4.65
Rot. Bonds5

About N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide

N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide (PubChem CID 138505426) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
PubChem CID138505426
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cc(C2CC2)ccc1N1CCC[C@@H](O)CC1)c1ccc(C2CCOCC2)o1
InChIInChI=1S/C25H32N2O4/c28-20-2-1-12-27(13-9-20)22-6-5-19(17-3-4-17)16-21(22)26-25(29)24-8-7-23(31-24)18-10-14-30-15-11-18/h5-8,16-18,20,28H,1-4,9-15H2,(H,26,29)/t20-/m1/s1
InChIKeyCLLKJTNBTLXBDI-HXUWFJFHSA-N
XLogP4.65
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide with MolForge

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Related Compounds

N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138505378
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186
N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138517968
N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 138517917
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 151283957
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 6496960
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
The IUPAC name of N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide (CID 138505426) is N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide is O=C(Nc1cc(C2CC2)ccc1N1CCC[C@@H](O)CC1)c1ccc(C2CCOCC2)o1.
What is the InChIKey of N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
The InChIKey is CLLKJTNBTLXBDI-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N2O4/c28-20-2-1-12-27(13-9-20)22-6-5-19(17-3-4-17)16-21(22)26-25(29)24-8-7-23(31-24)18-10-14-30-15-11-18/h5-8,16-18,20,28H,1-4,9-15H2,(H,26,29)/t20-/m1/s1.
What are the key properties of N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide is sourced from PubChem (CID 138505426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).