N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C21H27N3O4 — CID 51963827

IUPACN-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1
InChIInChI=1S/C21H27N3O4/c1-15-3-5-17(6-4-15)19(13-24-8-11-27-12-9-24)23-20(25)16(2)22-21(26)18-7-10-28-14-18/h3-7,10,14,16,19H,8-9,11-13H2,1-2H3,(H,22,26)(H,23,25)/t16-,19+/m1/s1
InChIKeyBOKAGVLFWAYHCH-APWZRJJASA-N
MW385.46 g/mol
LogP1.90
Rot. Bonds7

About N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 51963827) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID51963827
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1
InChIInChI=1S/C21H27N3O4/c1-15-3-5-17(6-4-15)19(13-24-8-11-27-12-9-24)23-20(25)16(2)22-21(26)18-7-10-28-14-18/h3-7,10,14,16,19H,8-9,11-13H2,1-2H3,(H,22,26)(H,23,25)/t16-,19+/m1/s1
InChIKeyBOKAGVLFWAYHCH-APWZRJJASA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024670
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 47011909
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 9144857
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 43033641
4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31443585
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 51963827) is N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1.
What is the InChIKey of N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is BOKAGVLFWAYHCH-APWZRJJASA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-3-5-17(6-4-15)19(13-24-8-11-27-12-9-24)23-20(25)16(2)22-21(26)18-7-10-28-14-18/h3-7,10,14,16,19H,8-9,11-13H2,1-2H3,(H,22,26)(H,23,25)/t16-,19+/m1/s1.
What are the key properties of N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51963827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).