N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide

C19H28N2O3 — CID 72918991

IUPACN-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C19H28N2O3/c1-20(14-15-5-3-2-4-6-15)18(24)7-10-21-11-8-19(9-12-21)16(22)13-17(19)23/h2-6,16-17,22-23H,7-14H2,1H3/t16-,17+
InChIKeyFBZWQNFIQBZJSS-CALCHBBNSA-N
MW332.44 g/mol
LogP1.24
Rot. Bonds5

About N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide

N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide (PubChem CID 72918991) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide
PubChem CID72918991
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C19H28N2O3/c1-20(14-15-5-3-2-4-6-15)18(24)7-10-21-11-8-19(9-12-21)16(22)13-17(19)23/h2-6,16-17,22-23H,7-14H2,1H3/t16-,17+
InChIKeyFBZWQNFIQBZJSS-CALCHBBNSA-N
XLogP1.24
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 109020407
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CID 91842439
N-benzyl-N-methyl-3-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 56910301
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436
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CID 60645191
N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944328
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide
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N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide (CID 72918991) is N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCN1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide?
The InChIKey is FBZWQNFIQBZJSS-CALCHBBNSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20(14-15-5-3-2-4-6-15)18(24)7-10-21-11-8-19(9-12-21)16(22)13-17(19)23/h2-6,16-17,22-23H,7-14H2,1H3/t16-,17+.
What are the key properties of N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide?
N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide has a molecular weight of 332.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide is sourced from PubChem (CID 72918991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).