N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide

C23H35N3O2 — CID 131691829

IUPACN-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
SMILESCC(C)N(C)CC(=O)N1CCC2(CCC2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)25(3)17-22(28)26-15-13-23(14-16-26)12-11-20(23)24-21(27)10-9-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,24,27)
InChIKeyUKZRUBTXCOQWJD-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.85
Rot. Bonds7

About N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide

N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide (PubChem CID 131691829) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
PubChem CID131691829
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
SMILESCC(C)N(C)CC(=O)N1CCC2(CCC2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)25(3)17-22(28)26-15-13-23(14-16-26)12-11-20(23)24-21(27)10-9-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,24,27)
InChIKeyUKZRUBTXCOQWJD-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide with MolForge

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Related Compounds

N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691820
N-[7-(1-methylindole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691818
1-methyl-2-(3-phenylpropanoylamino)cyclohexane-1-carboxylic acid
CID 83209928
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276240
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 56813373
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide (CID 131691829) is N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide is CC(C)N(C)CC(=O)N1CCC2(CCC2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
The InChIKey is UKZRUBTXCOQWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18(2)25(3)17-22(28)26-15-13-23(14-16-26)12-11-20(23)24-21(27)10-9-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,24,27).
What are the key properties of N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide?
N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide has a molecular weight of 385.55 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 131691829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).