N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide

C15H21N3O2 — CID 128783740

IUPACN-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-12-2-4-13(5-3-12)8-17-14(19)18-6-7-20-15(11-18)9-16-10-15/h2-5,16H,6-11H2,1H3,(H,17,19)
InChIKeyIDBOLZPQYXTXIP-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.88
Rot. Bonds2

About N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide

N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide (PubChem CID 128783740) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
PubChem CID128783740
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-12-2-4-13(5-3-12)8-17-14(19)18-6-7-20-15(11-18)9-16-10-15/h2-5,16H,6-11H2,1H3,(H,17,19)
InChIKeyIDBOLZPQYXTXIP-UHFFFAOYSA-N
XLogP0.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97234225
4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61202032
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
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3-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
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(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
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N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138049695
N-[(4-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943434
(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide
CID 95088017
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide (CID 128783740) is N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide is Cc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
The InChIKey is IDBOLZPQYXTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-2-4-13(5-3-12)8-17-14(19)18-6-7-20-15(11-18)9-16-10-15/h2-5,16H,6-11H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide?
N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 128783740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).