N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide

C20H30N2O5 — CID 6548334

IUPACN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@@H]1CCCO1
InChIInChI=1S/C20H30N2O5/c1-14-11-22(12-15(2)27-14)19(23)6-8-21(13-17-5-4-9-26-17)20(24)18-7-10-25-16(18)3/h7,10,14-15,17H,4-6,8-9,11-13H2,1-3H3/t14-,15+,17-/m0/s1
InChIKeyRQHCFVZEKWMNPB-UXLLHSPISA-N
MW378.47 g/mol
LogP2.24
Rot. Bonds6

About N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide (PubChem CID 6548334) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
PubChem CID6548334
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@@H]1CCCO1
InChIInChI=1S/C20H30N2O5/c1-14-11-22(12-15(2)27-14)19(23)6-8-21(13-17-5-4-9-26-17)20(24)18-7-10-25-16(18)3/h7,10,14-15,17H,4-6,8-9,11-13H2,1-3H3/t14-,15+,17-/m0/s1
InChIKeyRQHCFVZEKWMNPB-UXLLHSPISA-N
XLogP2.24
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[3-(dipropylamino)-3-oxopropyl]-2-methyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780309
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 42779884
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42094625
2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
CID 106853558
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
4-fluoro-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779448
4-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92723683
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92746827
3,4-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92501839
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 97250924
methyl 3-[(5-methyl-1H-pyrazole-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964050

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide (CID 6548334) is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide is Cc1occc1C(=O)N(CCC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@@H]1CCCO1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
The InChIKey is RQHCFVZEKWMNPB-UXLLHSPISA-N. The full InChI is InChI=1S/C20H30N2O5/c1-14-11-22(12-15(2)27-14)19(23)6-8-21(13-17-5-4-9-26-17)20(24)18-7-10-25-16(18)3/h7,10,14-15,17H,4-6,8-9,11-13H2,1-3H3/t14-,15+,17-/m0/s1.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 6548334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).