N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C21H30N2O4 — CID 125163740

IUPACN-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C21H30N2O4/c24-20(23-11-4-8-21(16-23)9-13-25-14-10-21)22-18-6-1-2-7-19(18)27-15-17-5-3-12-26-17/h1-2,6-7,17H,3-5,8-16H2,(H,22,24)/t17-/m1/s1
InChIKeyVTIOJNBMMMQFHK-QGZVFWFLSA-N
MW374.48 g/mol
LogP3.67
Rot. Bonds4

About N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 125163740) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID125163740
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C21H30N2O4/c24-20(23-11-4-8-21(16-23)9-13-25-14-10-21)22-18-6-1-2-7-19(18)27-15-17-5-3-12-26-17/h1-2,6-7,17H,3-5,8-16H2,(H,22,24)/t17-/m1/s1
InChIKeyVTIOJNBMMMQFHK-QGZVFWFLSA-N
XLogP3.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide with MolForge

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Related Compounds

4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368188
4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60577763
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
1-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079701
2-[4-(morpholine-4-carbonyl)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54831936
3-methyl-1-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077719
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 125163740) is N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCCC2(CCOCC2)C1.
What is the InChIKey of N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is VTIOJNBMMMQFHK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-20(23-11-4-8-21(16-23)9-13-25-14-10-21)22-18-6-1-2-7-19(18)27-15-17-5-3-12-26-17/h1-2,6-7,17H,3-5,8-16H2,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 125163740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).