N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C22H27N3O2 — CID 56902404

IUPACN-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C22H27N3O2/c26-21(20-14-22(16-25-20)9-11-23-12-10-22)24-15-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,20,23,25H,9-12,14-16H2,(H,24,26)
InChIKeyNBNVCHWLBXOANW-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.83
Rot. Bonds5

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

N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56902404) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56902404
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C22H27N3O2/c26-21(20-14-22(16-25-20)9-11-23-12-10-22)24-15-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,20,23,25H,9-12,14-16H2,(H,24,26)
InChIKeyNBNVCHWLBXOANW-UHFFFAOYSA-N
XLogP2.83
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95708043
(3S)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95716256
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95873096
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720438
(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724507
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 167936736
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119732512
(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95713410
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56902404) is N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1cccc(Oc2ccccc2)c1)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NBNVCHWLBXOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(20-14-22(16-25-20)9-11-23-12-10-22)24-15-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,20,23,25H,9-12,14-16H2,(H,24,26).
What are the key properties of N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56902404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).