6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

C19H27N3O3 — CID 146070649

IUPAC6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCCCNC(=O)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C19H27N3O3/c1-2-10-20-18(24)21-11-8-17(23)22(13-16-6-4-3-5-7-16)19(14-21)9-12-25-15-19/h3-7H,2,8-15H2,1H3,(H,20,24)
InChIKeyRYPFNSDCBQZJAH-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.00
Rot. Bonds4

About 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide (PubChem CID 146070649) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
PubChem CID146070649
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCCCNC(=O)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1
InChIInChI=1S/C19H27N3O3/c1-2-10-20-18(24)21-11-8-17(23)22(13-16-6-4-3-5-7-16)19(14-21)9-12-25-15-19/h3-7H,2,8-15H2,1H3,(H,20,24)
InChIKeyRYPFNSDCBQZJAH-UHFFFAOYSA-N
XLogP2.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071110
6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068336
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146070657
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068341
10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066856
6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066819
N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071150
10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066774
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
4-morpholin-4-yl-4-phenyl-N-propylpiperidine-1-carboxamide
CID 110637882

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide (CID 146070649) is 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide is CCCNC(=O)N1CCC(=O)N(Cc2ccccc2)C2(CCOC2)C1.
What is the InChIKey of 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is RYPFNSDCBQZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-10-20-18(24)21-11-8-17(23)22(13-16-6-4-3-5-7-16)19(14-21)9-12-25-15-19/h3-7H,2,8-15H2,1H3,(H,20,24).
What are the key properties of 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 146070649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).