(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide

C22H27N3O4 — CID 92990179

IUPAC(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCO[C@@H](CN(C(=O)c2ccco2)C2CCCC2)C1
InChIInChI=1S/C22H27N3O4/c26-21(20-11-6-13-29-20)25(18-9-4-5-10-18)16-19-15-24(12-14-28-19)22(27)23-17-7-2-1-3-8-17/h1-3,6-8,11,13,18-19H,4-5,9-10,12,14-16H2,(H,23,27)/t19-/m1/s1
InChIKeyFSHBMLPQOXHHBF-LJQANCHMSA-N
MW397.48 g/mol
LogP3.60
Rot. Bonds5

About (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide

(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 92990179) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID92990179
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCO[C@@H](CN(C(=O)c2ccco2)C2CCCC2)C1
InChIInChI=1S/C22H27N3O4/c26-21(20-11-6-13-29-20)25(18-9-4-5-10-18)16-19-15-24(12-14-28-19)22(27)23-17-7-2-1-3-8-17/h1-3,6-8,11,13,18-19H,4-5,9-10,12,14-16H2,(H,23,27)/t19-/m1/s1
InChIKeyFSHBMLPQOXHHBF-LJQANCHMSA-N
XLogP3.60
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 46059766
2-[[1,3-benzodioxole-5-carbonyl(oxolan-2-ylmethyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 46060521
N-(cyclopropylmethyl)-N-[[4-(furan-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861686
2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862667
2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584705
(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
CID 164634604
(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
3-N-[3-(furan-2-carbonylamino)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42935667
N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
N-cyclohexyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 54942763

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide (CID 92990179) is (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide is O=C(Nc1ccccc1)N1CCO[C@@H](CN(C(=O)c2ccco2)C2CCCC2)C1.
What is the InChIKey of (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is FSHBMLPQOXHHBF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-21(20-11-6-13-29-20)25(18-9-4-5-10-18)16-19-15-24(12-14-28-19)22(27)23-17-7-2-1-3-8-17/h1-3,6-8,11,13,18-19H,4-5,9-10,12,14-16H2,(H,23,27)/t19-/m1/s1.
What are the key properties of (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide?
(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 92990179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).