N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide

C17H24N2O3 — CID 51090955

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)C1CCCO1
InChIInChI=1S/C17H24N2O3/c20-17(16-5-2-8-22-16)18-12-14-3-1-4-15(11-14)13-19-6-9-21-10-7-19/h1,3-4,11,16H,2,5-10,12-13H2,(H,18,20)
InChIKeyLBCDSXGSIDWHRM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.31
Rot. Bonds5

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 51090955) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID51090955
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)C1CCCO1
InChIInChI=1S/C17H24N2O3/c20-17(16-5-2-8-22-16)18-12-14-3-1-4-15(11-14)13-19-6-9-21-10-7-19/h1,3-4,11,16H,2,5-10,12-13H2,(H,18,20)
InChIKeyLBCDSXGSIDWHRM-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124593335
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55969887
2-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111138599

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide (CID 51090955) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide is O=C(NCc1cccc(CN2CCOCC2)c1)C1CCCO1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is LBCDSXGSIDWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(16-5-2-8-22-16)18-12-14-3-1-4-15(11-14)13-19-6-9-21-10-7-19/h1,3-4,11,16H,2,5-10,12-13H2,(H,18,20).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 51090955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).