4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide

C19H28N2O2 — CID 124683871

IUPAC4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C12CCCC2
InChIInChI=1S/C19H28N2O2/c1-3-23-17-12-16(19(17)10-4-5-11-19)21(2)18(22)15-8-6-14(13-20)7-9-15/h6-9,16-17H,3-5,10-13,20H2,1-2H3/t16-,17+/m1/s1
InChIKeyJLCQKSBINRXWGY-SJORKVTESA-N
MW316.44 g/mol
LogP2.96
Rot. Bonds5

About 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide

4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide (PubChem CID 124683871) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
PubChem CID124683871
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C12CCCC2
InChIInChI=1S/C19H28N2O2/c1-3-23-17-12-16(19(17)10-4-5-11-19)21(2)18(22)15-8-6-14(13-20)7-9-15/h6-9,16-17H,3-5,10-13,20H2,1-2H3/t16-,17+/m1/s1
InChIKeyJLCQKSBINRXWGY-SJORKVTESA-N
XLogP2.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
CID 119344435
N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 99697666
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621399
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621396
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-hydroxy-N-methyl-4-nitrobenzamide
CID 99714450
N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-hydroxy-N-methyl-4-nitrobenzamide
CID 99714449
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 99811003
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
4,5-dichloro-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1H-pyrrole-2-carboxamide
CID 99810417
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N,3-dimethyl-2-nitrobenzamide
CID 99810315
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide (CID 124683871) is 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide is CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C12CCCC2.
What is the InChIKey of 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide?
The InChIKey is JLCQKSBINRXWGY-SJORKVTESA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-23-17-12-16(19(17)10-4-5-11-19)21(2)18(22)15-8-6-14(13-20)7-9-15/h6-9,16-17H,3-5,10-13,20H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide?
4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide has a molecular weight of 316.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide is sourced from PubChem (CID 124683871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).