2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide

C21H32N2O3 — CID 100674547

IUPAC2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCO[C@H]1C[C@@H](NCC(=O)NCc2ccc(OC)cc2)C12CCCCC2
InChIInChI=1S/C21H32N2O3/c1-3-26-19-13-18(21(19)11-5-4-6-12-21)22-15-20(24)23-14-16-7-9-17(25-2)10-8-16/h7-10,18-19,22H,3-6,11-15H2,1-2H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyHDUJZGUBZBFYEW-MOPGFXCFSA-N
MW360.50 g/mol
LogP3.03
Rot. Bonds8

About 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 100674547) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID100674547
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCO[C@H]1C[C@@H](NCC(=O)NCc2ccc(OC)cc2)C12CCCCC2
InChIInChI=1S/C21H32N2O3/c1-3-26-19-13-18(21(19)11-5-4-6-12-21)22-15-20(24)23-14-16-7-9-17(25-2)10-8-16/h7-10,18-19,22H,3-6,11-15H2,1-2H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyHDUJZGUBZBFYEW-MOPGFXCFSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
CID 64864422
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115905391
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
CID 64865229
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
CID 103702260
(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680812
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66359025
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 100674547) is 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide is CCO[C@H]1C[C@@H](NCC(=O)NCc2ccc(OC)cc2)C12CCCCC2.
What is the InChIKey of 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is HDUJZGUBZBFYEW-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-26-19-13-18(21(19)11-5-4-6-12-21)22-15-20(24)23-14-16-7-9-17(25-2)10-8-16/h7-10,18-19,22H,3-6,11-15H2,1-2H3,(H,23,24)/t18-,19+/m1/s1.
What are the key properties of 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 100674547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).