4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide

C20H28N2O4 — CID 99813900

IUPAC4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide
SMILESCCO[C@@H]1C[C@H](NC(=O)CCOc2ccc(C(N)=O)cc2)C12CCCC2
InChIInChI=1S/C20H28N2O4/c1-2-25-17-13-16(20(17)10-3-4-11-20)22-18(23)9-12-26-15-7-5-14(6-8-15)19(21)24/h5-8,16-17H,2-4,9-13H2,1H3,(H2,21,24)(H,22,23)/t16-,17+/m0/s1
InChIKeyKFDXRJBFBXCUSE-DLBZAZTESA-N
MW360.45 g/mol
LogP2.41
Rot. Bonds8

About 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide

4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide (PubChem CID 99813900) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide
PubChem CID99813900
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide
SMILESCCO[C@@H]1C[C@H](NC(=O)CCOc2ccc(C(N)=O)cc2)C12CCCC2
InChIInChI=1S/C20H28N2O4/c1-2-25-17-13-16(20(17)10-3-4-11-20)22-18(23)9-12-26-15-7-5-14(6-8-15)19(21)24/h5-8,16-17H,2-4,9-13H2,1H3,(H2,21,24)(H,22,23)/t16-,17+/m0/s1
InChIKeyKFDXRJBFBXCUSE-DLBZAZTESA-N
XLogP2.41
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide with MolForge

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Related Compounds

3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
3-(2-aminophenyl)-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 120611376
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
N-(3-ethoxyspiro[3.4]octan-1-yl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 75379390
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97100665
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
CID 124590561
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide (CID 99813900) is 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide is CCO[C@@H]1C[C@H](NC(=O)CCOc2ccc(C(N)=O)cc2)C12CCCC2.
What is the InChIKey of 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide?
The InChIKey is KFDXRJBFBXCUSE-DLBZAZTESA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-25-17-13-16(20(17)10-3-4-11-20)22-18(23)9-12-26-15-7-5-14(6-8-15)19(21)24/h5-8,16-17H,2-4,9-13H2,1H3,(H2,21,24)(H,22,23)/t16-,17+/m0/s1.
What are the key properties of 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide?
4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide has a molecular weight of 360.45 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide is sourced from PubChem (CID 99813900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).