(3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

C20H30N2O2 — CID 97490682

IUPAC(3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCC2(CCN(Cc3ccccc3)CC2)CO1
InChIInChI=1S/C20H30N2O2/c1-16(2)21-19(23)18-8-9-20(15-24-18)10-12-22(13-11-20)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyWGONYGHYCCRVAN-GOSISDBHSA-N
MW330.47 g/mol
LogP2.97
Rot. Bonds4

About (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide

(3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 97490682) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name(3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
PubChem CID97490682
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCC2(CCN(Cc3ccccc3)CC2)CO1
InChIInChI=1S/C20H30N2O2/c1-16(2)21-19(23)18-8-9-20(15-24-18)10-12-22(13-11-20)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyWGONYGHYCCRVAN-GOSISDBHSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide with MolForge

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Related Compounds

1-[(9-benzyl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-3-methylurea
CID 131642287
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435738
[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 98778276
8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 68926998

Frequently Asked Questions

What is the IUPAC name of (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide (CID 97490682) is (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is CC(C)NC(=O)[C@H]1CCC2(CCN(Cc3ccccc3)CC2)CO1.
What is the InChIKey of (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is WGONYGHYCCRVAN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(2)21-19(23)18-8-9-20(15-24-18)10-12-22(13-11-20)14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide?
(3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-9-benzyl-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 97490682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).