N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide

C21H29ClN2O3 — CID 154868234

IUPACN-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide
SMILESO=C(NCC1(c2ccccc2Cl)CCOCC1)C1CNCCC12CCOC2
InChIInChI=1S/C21H29ClN2O3/c22-18-4-2-1-3-16(18)20(6-10-26-11-7-20)14-24-19(25)17-13-23-9-5-21(17)8-12-27-15-21/h1-4,17,23H,5-15H2,(H,24,25)
InChIKeyGFCOMBKLQIEYBK-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.52
Rot. Bonds4

About N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide

N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide (PubChem CID 154868234) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide
PubChem CID154868234
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC NameN-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide
SMILESO=C(NCC1(c2ccccc2Cl)CCOCC1)C1CNCCC12CCOC2
InChIInChI=1S/C21H29ClN2O3/c22-18-4-2-1-3-16(18)20(6-10-26-11-7-20)14-24-19(25)17-13-23-9-5-21(17)8-12-27-15-21/h1-4,17,23H,5-15H2,(H,24,25)
InChIKeyGFCOMBKLQIEYBK-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide with MolForge

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Related Compounds

N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119320200
(2S)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348749
(2R)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95348750
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119320203
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
3-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111105530
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide?
The IUPAC name of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide (CID 154868234) is N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide.
What is the SMILES notation for N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide?
The canonical SMILES for N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide is O=C(NCC1(c2ccccc2Cl)CCOCC1)C1CNCCC12CCOC2.
What is the InChIKey of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide?
The InChIKey is GFCOMBKLQIEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3/c22-18-4-2-1-3-16(18)20(6-10-26-11-7-20)14-24-19(25)17-13-23-9-5-21(17)8-12-27-15-21/h1-4,17,23H,5-15H2,(H,24,25).
What are the key properties of N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide?
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide is sourced from PubChem (CID 154868234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).