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

C26H34N2O4 — CID 138505378

IUPACN-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
SMILESC[C@@]1(O)CCCN(c2ccc(C3CC3)cc2NC(=O)c2ccc(C3CCOCC3)o2)CC1
InChIInChI=1S/C26H34N2O4/c1-26(30)11-2-13-28(14-12-26)22-6-5-20(18-3-4-18)17-21(22)27-25(29)24-8-7-23(32-24)19-9-15-31-16-10-19/h5-8,17-19,30H,2-4,9-16H2,1H3,(H,27,29)/t26-/m1/s1
InChIKeyJEVNSQOQIKDDMI-AREMUKBSSA-N
MW438.57 g/mol
LogP5.04
Rot. Bonds5

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

N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide (PubChem CID 138505378) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
PubChem CID138505378
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
SMILESC[C@@]1(O)CCCN(c2ccc(C3CC3)cc2NC(=O)c2ccc(C3CCOCC3)o2)CC1
InChIInChI=1S/C26H34N2O4/c1-26(30)11-2-13-28(14-12-26)22-6-5-20(18-3-4-18)17-21(22)27-25(29)24-8-7-23(32-24)19-9-15-31-16-10-19/h5-8,17-19,30H,2-4,9-16H2,1H3,(H,27,29)/t26-/m1/s1
InChIKeyJEVNSQOQIKDDMI-AREMUKBSSA-N
XLogP5.04
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[5-cyclopropyl-2-[(4R)-4-hydroxyazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138505426
N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 138517917
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-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186
N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide
CID 59771211
5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 6496960
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81150118
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481
5-acetamido-N-(2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 110699962
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 28692731

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
The IUPAC name of N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide (CID 138505378) is N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide is C[C@@]1(O)CCCN(c2ccc(C3CC3)cc2NC(=O)c2ccc(C3CCOCC3)o2)CC1.
What is the InChIKey of N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
The InChIKey is JEVNSQOQIKDDMI-AREMUKBSSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-26(30)11-2-13-28(14-12-26)22-6-5-20(18-3-4-18)17-21(22)27-25(29)24-8-7-23(32-24)19-9-15-31-16-10-19/h5-8,17-19,30H,2-4,9-16H2,1H3,(H,27,29)/t26-/m1/s1.
What are the key properties of N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide?
N-[5-cyclopropyl-2-[(4R)-4-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 5.04, 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-hydroxy-4-methylazepan-1-yl]phenyl]-5-(oxan-4-yl)furan-2-carboxamide is sourced from PubChem (CID 138505378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).