N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide

C23H28N2O5 — CID 56774627

IUPACN-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C23H28N2O5/c26-21-15-29-14-19(25(21)13-16-5-2-1-3-6-16)22(27)17-8-10-18(11-9-17)24-23(28)20-7-4-12-30-20/h4,7-12,16,19,22,27H,1-3,5-6,13-15H2,(H,24,28)/t19-,22-/m1/s1
InChIKeyDFLCNVJNFWEMEY-DENIHFKCSA-N
MW412.49 g/mol
LogP3.37
Rot. Bonds6

About N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide

N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide (PubChem CID 56774627) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
PubChem CID56774627
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C23H28N2O5/c26-21-15-29-14-19(25(21)13-16-5-2-1-3-6-16)22(27)17-8-10-18(11-9-17)24-23(28)20-7-4-12-30-20/h4,7-12,16,19,22,27H,1-3,5-6,13-15H2,(H,24,28)/t19-,22-/m1/s1
InChIKeyDFLCNVJNFWEMEY-DENIHFKCSA-N
XLogP3.37
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
CID 56774918
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774633
N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
CID 138990889
N-[4-[(2-cyclohexylacetyl)amino]phenyl]furan-2-carboxamide
CID 30783674
N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 56774899
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[4-[(R)-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56774688
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide
CID 56774640
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide (CID 56774627) is N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1)c1ccco1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
The InChIKey is DFLCNVJNFWEMEY-DENIHFKCSA-N. The full InChI is InChI=1S/C23H28N2O5/c26-21-15-29-14-19(25(21)13-16-5-2-1-3-6-16)22(27)17-8-10-18(11-9-17)24-23(28)20-7-4-12-30-20/h4,7-12,16,19,22,27H,1-3,5-6,13-15H2,(H,24,28)/t19-,22-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56774627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).