(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H25F2N3O2 — CID 95873096

IUPAC(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C18H25F2N3O2/c1-23-12-18(5-7-21-8-6-18)10-15(23)16(24)22-11-13-3-2-4-14(9-13)25-17(19)20/h2-4,9,15,17,21H,5-8,10-12H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyULKXSYSYLCWJDV-OAHLLOKOSA-N
MW353.41 g/mol
LogP1.98
Rot. Bonds5

About (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95873096) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95873096
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C18H25F2N3O2/c1-23-12-18(5-7-21-8-6-18)10-15(23)16(24)22-11-13-3-2-4-14(9-13)25-17(19)20/h2-4,9,15,17,21H,5-8,10-12H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyULKXSYSYLCWJDV-OAHLLOKOSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404
1-[[3-(difluoromethoxy)phenyl]methyl]-N-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carboxamide
CID 3606191
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724
(3R)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95891913

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95873096) is (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is ULKXSYSYLCWJDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-23-12-18(5-7-21-8-6-18)10-15(23)16(24)22-11-13-3-2-4-14(9-13)25-17(19)20/h2-4,9,15,17,21H,5-8,10-12H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95873096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).